4-N-butan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine

C14H19N5 — CID 112883503

IUPAC4-N-butan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCCC(C)Nc1ccnc(NCc2ccccn2)n1
InChIInChI=1S/C14H19N5/c1-3-11(2)18-13-7-9-16-14(19-13)17-10-12-6-4-5-8-15-12/h4-9,11H,3,10H2,1-2H3,(H2,16,17,18,19)
InChIKeyHRUZYNXDZSGVNC-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.69
Rot. Bonds6

About 4-N-butan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine

4-N-butan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112883503) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-N-butan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112883503
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name4-N-butan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCCC(C)Nc1ccnc(NCc2ccccn2)n1
InChIInChI=1S/C14H19N5/c1-3-11(2)18-13-7-9-16-14(19-13)17-10-12-6-4-5-8-15-12/h4-9,11H,3,10H2,1-2H3,(H2,16,17,18,19)
InChIKeyHRUZYNXDZSGVNC-UHFFFAOYSA-N
XLogP2.69
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-butan-2-yl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112883490
2-N,4-N-di(butan-2-yl)pyrimidine-2,4-diamine
CID 112883470
4-N-butan-2-yl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112883488
2-N-(1-phenylethyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112890680
4-N-butan-2-yl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112883545
4-N-benzyl-2-N-butan-2-ylpyrimidine-2,4-diamine
CID 112883682
2-N-(pyridin-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112893358
4-ethoxy-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 112636546
4-N-[(4-methoxyphenyl)methyl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112892381
4-N-butan-2-yl-2-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112883509
2-N-[(2-methoxyphenyl)methyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112892258
4-N-(1-phenylpropan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80830735

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-butan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (CID 112883503) is 4-N-butan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is CCC(C)Nc1ccnc(NCc2ccccn2)n1.
What is the InChIKey of 4-N-butan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is HRUZYNXDZSGVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-3-11(2)18-13-7-9-16-14(19-13)17-10-12-6-4-5-8-15-12/h4-9,11H,3,10H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-N-butan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
4-N-butan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 257.34 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112883503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).