6-N-ethyl-4-N-[(3-methyl-4-pyridinyl)methyl]pyrimidine-4,6-diamine

C13H17N5 — CID 114702297

IUPAC6-N-ethyl-4-N-[(3-methyl-4-pyridinyl)methyl]pyrimidine-4,6-diamine
SMILESCCNc1cc(NCc2ccncc2C)ncn1
InChIInChI=1S/C13H17N5/c1-3-15-12-6-13(18-9-17-12)16-8-11-4-5-14-7-10(11)2/h4-7,9H,3,8H2,1-2H3,(H2,15,16,17,18)
InChIKeyHFONOELMQSWYKQ-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.22
Rot. Bonds5

About 6-N-ethyl-4-N-[(3-methyl-4-pyridinyl)methyl]pyrimidine-4,6-diamine

6-N-ethyl-4-N-[(3-methyl-4-pyridinyl)methyl]pyrimidine-4,6-diamine (PubChem CID 114702297) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-N-ethyl-4-N-[(3-methyl-4-pyridinyl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-[(3-methyl-4-pyridinyl)methyl]pyrimidine-4,6-diamine
PubChem CID114702297
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name6-N-ethyl-4-N-[(3-methyl-4-pyridinyl)methyl]pyrimidine-4,6-diamine
SMILESCCNc1cc(NCc2ccncc2C)ncn1
InChIInChI=1S/C13H17N5/c1-3-15-12-6-13(18-9-17-12)16-8-11-4-5-14-7-10(11)2/h4-7,9H,3,8H2,1-2H3,(H2,15,16,17,18)
InChIKeyHFONOELMQSWYKQ-UHFFFAOYSA-N
XLogP2.22
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-ethyl-4-N-[(3-methyl-4-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 114702224
3,5-dichloro-2-N-ethyl-6-N-[(3-methyl-4-pyridinyl)methyl]pyridine-2,6-diamine
CID 102760160
5-amino-2-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carboxamide
CID 114090671
6-N-ethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 115265643
4-N-[(2-chlorophenyl)methyl]-6-N-ethylpyrimidine-4,6-diamine
CID 80784844
6-N-ethyl-4-N-[(4-methyl-3-pyridinyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 114957968
6-bromo-2-ethyl-N-[(3-methyl-4-pyridinyl)methyl]pyrimidin-4-amine
CID 114701517
6-hydrazinyl-N-[(3-methyl-4-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 114702346
6-N-[(3-methyl-4-pyridinyl)methyl]pyridine-2,6-diamine
CID 114702189
N-[(3-methyl-4-pyridinyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 114700770
2-methyl-4-N-[(3-methyl-4-pyridinyl)methyl]benzene-1,4-diamine
CID 114698439
6-N-ethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80791044

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-[(3-methyl-4-pyridinyl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-[(3-methyl-4-pyridinyl)methyl]pyrimidine-4,6-diamine (CID 114702297) is 6-N-ethyl-4-N-[(3-methyl-4-pyridinyl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-[(3-methyl-4-pyridinyl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-[(3-methyl-4-pyridinyl)methyl]pyrimidine-4,6-diamine is CCNc1cc(NCc2ccncc2C)ncn1.
What is the InChIKey of 6-N-ethyl-4-N-[(3-methyl-4-pyridinyl)methyl]pyrimidine-4,6-diamine?
The InChIKey is HFONOELMQSWYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-3-15-12-6-13(18-9-17-12)16-8-11-4-5-14-7-10(11)2/h4-7,9H,3,8H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 6-N-ethyl-4-N-[(3-methyl-4-pyridinyl)methyl]pyrimidine-4,6-diamine?
6-N-ethyl-4-N-[(3-methyl-4-pyridinyl)methyl]pyrimidine-4,6-diamine has a molecular weight of 243.31 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-[(3-methyl-4-pyridinyl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 114702297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).