5-[(3-methylcyclopentyl)methyldiazenyl]-4-N-phosphanyl-2-propylsulfanylpyrimidine-4,6-diamine

C14H25N6PS — CID 138630907

IUPAC5-[(3-methylcyclopentyl)methyldiazenyl]-4-N-phosphanyl-2-propylsulfanylpyrimidine-4,6-diamine
SMILESCCCSc1nc(N)c(/N=N/CC2CCC(C)C2)c(NP)n1
InChIInChI=1S/C14H25N6PS/c1-3-6-22-14-17-12(15)11(13(18-14)20-21)19-16-8-10-5-4-9(2)7-10/h9-10H,3-8,21H2,1-2H3,(H3,15,17,18,20)/b19-16+
InChIKeyFHIVBSDBBWEQDJ-KNTRCKAVSA-N
MW340.44 g/mol
LogP4.28
Rot. Bonds7

About 5-[(3-methylcyclopentyl)methyldiazenyl]-4-N-phosphanyl-2-propylsulfanylpyrimidine-4,6-diamine

5-[(3-methylcyclopentyl)methyldiazenyl]-4-N-phosphanyl-2-propylsulfanylpyrimidine-4,6-diamine (PubChem CID 138630907) has the molecular formula C14H25N6PS and a molecular weight of 340.44 g/mol. Its IUPAC name is 5-[(3-methylcyclopentyl)methyldiazenyl]-4-N-phosphanyl-2-propylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-[(3-methylcyclopentyl)methyldiazenyl]-4-N-phosphanyl-2-propylsulfanylpyrimidine-4,6-diamine
PubChem CID138630907
Molecular FormulaC14H25N6PS
Molecular Weight340.44 g/mol
Exact Mass340.16
IUPAC Name5-[(3-methylcyclopentyl)methyldiazenyl]-4-N-phosphanyl-2-propylsulfanylpyrimidine-4,6-diamine
SMILESCCCSc1nc(N)c(/N=N/CC2CCC(C)C2)c(NP)n1
InChIInChI=1S/C14H25N6PS/c1-3-6-22-14-17-12(15)11(13(18-14)20-21)19-16-8-10-5-4-9(2)7-10/h9-10H,3-8,21H2,1-2H3,(H3,15,17,18,20)/b19-16+
InChIKeyFHIVBSDBBWEQDJ-KNTRCKAVSA-N
XLogP4.28
TPSA88.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

5-diazenyl-2-propylsulfanylpyrimidine-4,6-diamine
CID 144950117
cis-(1S,3R)-4-[(5,6-diamino-2-propylsulfanylpyrimidin-4-yl)amino]-3-fluorocyclopentane-1,2-diol
CID 144529055
6-chloro-4-N-(3-propylcyclopentyl)-2-propylsulfanylpyrimidine-4,5-diamine
CID 166876327
4-amino-6-ethyl-2-propylsulfanylpyrimidine-5-carbonitrile
CID 100775741
5-(cyclohexylmethyl)-2-ethylsulfanylpyrimidine-4,6-diamine
CID 67568333
3-propylsulfanyl-2,4,7,8-tetrazabicyclo[4.2.0]octa-1,3,5,7-tetraen-5-amine
CID 123231335
6-[amino-[3-[2-(cyclopropylmethoxy)ethoxy]cyclopentyl]amino]-2-propylsulfanylpyrimidine-4,5-diamine
CID 145150293
4-N-(3-methylpentyl)-2-propylsulfanylpyrimidine-4,5,6-triamine
CID 144529172
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
4,5,6-trimethyl-2-propylsulfanylpyrimidine
CID 90393527
2-[[(3aR,4S,6R,6aS)-6-[(5-amino-6-bromo-2-propylsulfanylpyrimidin-4-yl)amino]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol
CID 90466255
4-N-[(3aR,4S,6R,6aS)-4-ethoxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-6-chloro-2-propylsulfanylpyrimidine-4,5-diamine
CID 89036173

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylcyclopentyl)methyldiazenyl]-4-N-phosphanyl-2-propylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 5-[(3-methylcyclopentyl)methyldiazenyl]-4-N-phosphanyl-2-propylsulfanylpyrimidine-4,6-diamine (CID 138630907) is 5-[(3-methylcyclopentyl)methyldiazenyl]-4-N-phosphanyl-2-propylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-[(3-methylcyclopentyl)methyldiazenyl]-4-N-phosphanyl-2-propylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 5-[(3-methylcyclopentyl)methyldiazenyl]-4-N-phosphanyl-2-propylsulfanylpyrimidine-4,6-diamine is CCCSc1nc(N)c(/N=N/CC2CCC(C)C2)c(NP)n1.
What is the InChIKey of 5-[(3-methylcyclopentyl)methyldiazenyl]-4-N-phosphanyl-2-propylsulfanylpyrimidine-4,6-diamine?
The InChIKey is FHIVBSDBBWEQDJ-KNTRCKAVSA-N. The full InChI is InChI=1S/C14H25N6PS/c1-3-6-22-14-17-12(15)11(13(18-14)20-21)19-16-8-10-5-4-9(2)7-10/h9-10H,3-8,21H2,1-2H3,(H3,15,17,18,20)/b19-16+.
What are the key properties of 5-[(3-methylcyclopentyl)methyldiazenyl]-4-N-phosphanyl-2-propylsulfanylpyrimidine-4,6-diamine?
5-[(3-methylcyclopentyl)methyldiazenyl]-4-N-phosphanyl-2-propylsulfanylpyrimidine-4,6-diamine has a molecular weight of 340.44 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylcyclopentyl)methyldiazenyl]-4-N-phosphanyl-2-propylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 138630907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).