6-[amino-[3-[2-(cyclopropylmethoxy)ethoxy]cyclopentyl]amino]-2-propylsulfanylpyrimidine-4,5-diamine

C18H32N6O2S — CID 145150293

IUPAC6-[amino-[3-[2-(cyclopropylmethoxy)ethoxy]cyclopentyl]amino]-2-propylsulfanylpyrimidine-4,5-diamine
SMILESCCCSc1nc(N)c(N)c(N(N)C2CCC(OCCOCC3CC3)C2)n1
InChIInChI=1S/C18H32N6O2S/c1-2-9-27-18-22-16(20)15(19)17(23-18)24(21)13-5-6-14(10-13)26-8-7-25-11-12-3-4-12/h12-14H,2-11,19,21H2,1H3,(H2,20,22,23)
InChIKeyFBXLXNVIGHRUDL-UHFFFAOYSA-N
MW396.56 g/mol
LogP2.19
Rot. Bonds11

About 6-[amino-[3-[2-(cyclopropylmethoxy)ethoxy]cyclopentyl]amino]-2-propylsulfanylpyrimidine-4,5-diamine

6-[amino-[3-[2-(cyclopropylmethoxy)ethoxy]cyclopentyl]amino]-2-propylsulfanylpyrimidine-4,5-diamine (PubChem CID 145150293) has the molecular formula C18H32N6O2S and a molecular weight of 396.56 g/mol. Its IUPAC name is 6-[amino-[3-[2-(cyclopropylmethoxy)ethoxy]cyclopentyl]amino]-2-propylsulfanylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-[amino-[3-[2-(cyclopropylmethoxy)ethoxy]cyclopentyl]amino]-2-propylsulfanylpyrimidine-4,5-diamine
PubChem CID145150293
Molecular FormulaC18H32N6O2S
Molecular Weight396.56 g/mol
Exact Mass396.23
IUPAC Name6-[amino-[3-[2-(cyclopropylmethoxy)ethoxy]cyclopentyl]amino]-2-propylsulfanylpyrimidine-4,5-diamine
SMILESCCCSc1nc(N)c(N)c(N(N)C2CCC(OCCOCC3CC3)C2)n1
InChIInChI=1S/C18H32N6O2S/c1-2-9-27-18-22-16(20)15(19)17(23-18)24(21)13-5-6-14(10-13)26-8-7-25-11-12-3-4-12/h12-14H,2-11,19,21H2,1H3,(H2,20,22,23)
InChIKeyFBXLXNVIGHRUDL-UHFFFAOYSA-N
XLogP2.19
TPSA125.54 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(1R,3S)-3-[amino-[5-amino-6-(methylamino)-2-propylsulfanylpyrimidin-4-yl]amino]cyclopentyl]oxyethanol
CID 126627085
2-[3-[amino-(5,6-diamino-2-propylsulfanylpyrimidin-4-yl)amino]cyclopentyl]oxyethanol;4-cyclopropyl-1,2-difluorobenzene;methanol
CID 144552802
3-(2-ethoxyethoxy)cyclopentan-1-amine
CID 79465467
ethyl 2-[4-[amino-(5-amino-6-chloro-2-propylsulfanylpyrimidin-4-yl)amino]-2,3-dihydroxycyclopentyl]oxyacetate
CID 123502476
5-[(3-methylcyclopentyl)methyldiazenyl]-4-N-phosphanyl-2-propylsulfanylpyrimidine-4,6-diamine
CID 138630907
3-(2-propoxyethoxy)cyclohexan-1-amine
CID 79618913
3-(cyclopropylmethoxy)cyclopentan-1-amine
CID 79458422
2-[(1R,3S)-3-[7-(methylamino)-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]cyclopentyl]oxyethanol
CID 134335687
2-chloro-4-N-[2-(cyclopropylmethoxy)ethyl]-4-N,6-dimethylpyrimidine-4,5-diamine
CID 114043906
2-[[(3aR,4S,6R,6aS)-6-[[6-[[(3aR,4S,6R,6aS)-4-(2-hydroxyethoxy)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]amino]-5-amino-2-propylsulfanylpyrimidin-4-yl]amino]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol
CID 146014516
ethane;3-(2-ethoxyethoxy)cyclopentan-1-amine;2-methyl-2-methylsulfanylpropane;propane-2,2-diol
CID 144730421
1-butyl-4-[2-[4-(2-ethoxyethoxymethyl)cyclohexyl]ethyl]cyclohexane
CID 67843719

Frequently Asked Questions

What is the IUPAC name of 6-[amino-[3-[2-(cyclopropylmethoxy)ethoxy]cyclopentyl]amino]-2-propylsulfanylpyrimidine-4,5-diamine?
The IUPAC name of 6-[amino-[3-[2-(cyclopropylmethoxy)ethoxy]cyclopentyl]amino]-2-propylsulfanylpyrimidine-4,5-diamine (CID 145150293) is 6-[amino-[3-[2-(cyclopropylmethoxy)ethoxy]cyclopentyl]amino]-2-propylsulfanylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-[amino-[3-[2-(cyclopropylmethoxy)ethoxy]cyclopentyl]amino]-2-propylsulfanylpyrimidine-4,5-diamine?
The canonical SMILES for 6-[amino-[3-[2-(cyclopropylmethoxy)ethoxy]cyclopentyl]amino]-2-propylsulfanylpyrimidine-4,5-diamine is CCCSc1nc(N)c(N)c(N(N)C2CCC(OCCOCC3CC3)C2)n1.
What is the InChIKey of 6-[amino-[3-[2-(cyclopropylmethoxy)ethoxy]cyclopentyl]amino]-2-propylsulfanylpyrimidine-4,5-diamine?
The InChIKey is FBXLXNVIGHRUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6O2S/c1-2-9-27-18-22-16(20)15(19)17(23-18)24(21)13-5-6-14(10-13)26-8-7-25-11-12-3-4-12/h12-14H,2-11,19,21H2,1H3,(H2,20,22,23).
What are the key properties of 6-[amino-[3-[2-(cyclopropylmethoxy)ethoxy]cyclopentyl]amino]-2-propylsulfanylpyrimidine-4,5-diamine?
6-[amino-[3-[2-(cyclopropylmethoxy)ethoxy]cyclopentyl]amino]-2-propylsulfanylpyrimidine-4,5-diamine has a molecular weight of 396.56 g/mol, XLogP of 2.19, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino-[3-[2-(cyclopropylmethoxy)ethoxy]cyclopentyl]amino]-2-propylsulfanylpyrimidine-4,5-diamine is sourced from PubChem (CID 145150293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).