4-N-[(4-methyl-3-pyridinyl)methyl]-6-propan-2-yloxypyrimidine-4,5-diamine

C14H19N5O — CID 114954606

IUPAC4-N-[(4-methyl-3-pyridinyl)methyl]-6-propan-2-yloxypyrimidine-4,5-diamine
SMILESCc1ccncc1CNc1ncnc(OC(C)C)c1N
InChIInChI=1S/C14H19N5O/c1-9(2)20-14-12(15)13(18-8-19-14)17-7-11-6-16-5-4-10(11)3/h4-6,8-9H,7,15H2,1-3H3,(H,17,18,19)
InChIKeyKQMRPOZANFXNEP-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.16
Rot. Bonds5

About 4-N-[(4-methyl-3-pyridinyl)methyl]-6-propan-2-yloxypyrimidine-4,5-diamine

4-N-[(4-methyl-3-pyridinyl)methyl]-6-propan-2-yloxypyrimidine-4,5-diamine (PubChem CID 114954606) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-N-[(4-methyl-3-pyridinyl)methyl]-6-propan-2-yloxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[(4-methyl-3-pyridinyl)methyl]-6-propan-2-yloxypyrimidine-4,5-diamine
PubChem CID114954606
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name4-N-[(4-methyl-3-pyridinyl)methyl]-6-propan-2-yloxypyrimidine-4,5-diamine
SMILESCc1ccncc1CNc1ncnc(OC(C)C)c1N
InChIInChI=1S/C14H19N5O/c1-9(2)20-14-12(15)13(18-8-19-14)17-7-11-6-16-5-4-10(11)3/h4-6,8-9H,7,15H2,1-3H3,(H,17,18,19)
InChIKeyKQMRPOZANFXNEP-UHFFFAOYSA-N
XLogP2.16
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-methyl-4-N-[(4-methyl-3-pyridinyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 114957948
4-N-[(4-chlorophenyl)methyl]-6-propan-2-yloxypyrimidine-4,5-diamine
CID 19150555
6-propan-2-yloxy-4-N-pyridin-3-ylpyrimidine-4,5-diamine
CID 19145475
4-N-[(4-methyl-3-pyridinyl)methyl]quinazoline-4,7-diamine
CID 114954524
4-N-(2-phenylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 104591319
6-propan-2-yloxy-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 19152546
4-N-(3-methylbut-2-enyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 106182572
4-N-(3,4-dimethylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 22546284
4-N-(4-chloro-2-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 22546490
4-N-(3-imidazol-1-ylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 19152530
6-ethoxy-2-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,5-diamine
CID 114954533
6-propan-2-yloxy-4-N-(3-propoxypropyl)pyrimidine-4,5-diamine
CID 82942129

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-methyl-3-pyridinyl)methyl]-6-propan-2-yloxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-[(4-methyl-3-pyridinyl)methyl]-6-propan-2-yloxypyrimidine-4,5-diamine (CID 114954606) is 4-N-[(4-methyl-3-pyridinyl)methyl]-6-propan-2-yloxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[(4-methyl-3-pyridinyl)methyl]-6-propan-2-yloxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[(4-methyl-3-pyridinyl)methyl]-6-propan-2-yloxypyrimidine-4,5-diamine is Cc1ccncc1CNc1ncnc(OC(C)C)c1N.
What is the InChIKey of 4-N-[(4-methyl-3-pyridinyl)methyl]-6-propan-2-yloxypyrimidine-4,5-diamine?
The InChIKey is KQMRPOZANFXNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-9(2)20-14-12(15)13(18-8-19-14)17-7-11-6-16-5-4-10(11)3/h4-6,8-9H,7,15H2,1-3H3,(H,17,18,19).
What are the key properties of 4-N-[(4-methyl-3-pyridinyl)methyl]-6-propan-2-yloxypyrimidine-4,5-diamine?
4-N-[(4-methyl-3-pyridinyl)methyl]-6-propan-2-yloxypyrimidine-4,5-diamine has a molecular weight of 273.34 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-methyl-3-pyridinyl)methyl]-6-propan-2-yloxypyrimidine-4,5-diamine is sourced from PubChem (CID 114954606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).