4-N-[2-(cyclopropylmethoxy)ethyl]-6-N-propylpyrimidine-4,6-diamine

C13H22N4O — CID 114098683

IUPAC4-N-[2-(cyclopropylmethoxy)ethyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCCOCC2CC2)ncn1
InChIInChI=1S/C13H22N4O/c1-2-5-14-12-8-13(17-10-16-12)15-6-7-18-9-11-3-4-11/h8,10-11H,2-7,9H2,1H3,(H2,14,15,16,17)
InChIKeyXAICCRFWZMGQNJ-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.14
Rot. Bonds9

About 4-N-[2-(cyclopropylmethoxy)ethyl]-6-N-propylpyrimidine-4,6-diamine

4-N-[2-(cyclopropylmethoxy)ethyl]-6-N-propylpyrimidine-4,6-diamine (PubChem CID 114098683) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-N-[2-(cyclopropylmethoxy)ethyl]-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(cyclopropylmethoxy)ethyl]-6-N-propylpyrimidine-4,6-diamine
PubChem CID114098683
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-N-[2-(cyclopropylmethoxy)ethyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCCOCC2CC2)ncn1
InChIInChI=1S/C13H22N4O/c1-2-5-14-12-8-13(17-10-16-12)15-6-7-18-9-11-3-4-11/h8,10-11H,2-7,9H2,1H3,(H2,14,15,16,17)
InChIKeyXAICCRFWZMGQNJ-UHFFFAOYSA-N
XLogP2.14
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80828903
4-N-(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80765107
4-N-(cyclohexylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80784186
4-N-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80769657
4-N-[(1-methylpiperidin-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80812575
4-N-(3-cyclopentylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 106014887
4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80796879
N-[2-(cyclopropylmethoxy)ethyl]-6-ethoxy-5-methylpyrimidin-4-amine
CID 114098261
4-N-[2-(cyclopropylmethoxy)ethyl]-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80851876
4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80825653
N-[3-(cyclopropylmethoxy)propyl]-4-methylpyridin-2-amine
CID 103761404
6-cyclobutyl-N-propylpyrimidin-4-amine
CID 126848136

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(cyclopropylmethoxy)ethyl]-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(cyclopropylmethoxy)ethyl]-6-N-propylpyrimidine-4,6-diamine (CID 114098683) is 4-N-[2-(cyclopropylmethoxy)ethyl]-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(cyclopropylmethoxy)ethyl]-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(cyclopropylmethoxy)ethyl]-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NCCOCC2CC2)ncn1.
What is the InChIKey of 4-N-[2-(cyclopropylmethoxy)ethyl]-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is XAICCRFWZMGQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-5-14-12-8-13(17-10-16-12)15-6-7-18-9-11-3-4-11/h8,10-11H,2-7,9H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-N-[2-(cyclopropylmethoxy)ethyl]-6-N-propylpyrimidine-4,6-diamine?
4-N-[2-(cyclopropylmethoxy)ethyl]-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 250.35 g/mol, XLogP of 2.14, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(cyclopropylmethoxy)ethyl]-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 114098683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).