4-N-(cyclopropylmethyl)-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine

C14H17N5 — CID 118716402

IUPAC4-N-(cyclopropylmethyl)-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine
SMILESCNc1nc(NCC2CC2)cc(-c2ccccn2)n1
InChIInChI=1S/C14H17N5/c1-15-14-18-12(11-4-2-3-7-16-11)8-13(19-14)17-9-10-5-6-10/h2-4,7-8,10H,5-6,9H2,1H3,(H2,15,17,18,19)
InChIKeyXYYAWWCGBSMEAW-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.40
Rot. Bonds5

About 4-N-(cyclopropylmethyl)-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine

4-N-(cyclopropylmethyl)-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine (PubChem CID 118716402) has the molecular formula C14H17N5 and a molecular weight of 255.33 g/mol. Its IUPAC name is 4-N-(cyclopropylmethyl)-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(cyclopropylmethyl)-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine
PubChem CID118716402
Molecular FormulaC14H17N5
Molecular Weight255.33 g/mol
Exact Mass255.15
IUPAC Name4-N-(cyclopropylmethyl)-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine
SMILESCNc1nc(NCC2CC2)cc(-c2ccccn2)n1
InChIInChI=1S/C14H17N5/c1-15-14-18-12(11-4-2-3-7-16-11)8-13(19-14)17-9-10-5-6-10/h2-4,7-8,10H,5-6,9H2,1H3,(H2,15,17,18,19)
InChIKeyXYYAWWCGBSMEAW-UHFFFAOYSA-N
XLogP2.40
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclopropylmethyl)-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(cyclopropylmethyl)-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine (CID 118716402) is 4-N-(cyclopropylmethyl)-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(cyclopropylmethyl)-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(cyclopropylmethyl)-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine is CNc1nc(NCC2CC2)cc(-c2ccccn2)n1.
What is the InChIKey of 4-N-(cyclopropylmethyl)-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine?
The InChIKey is XYYAWWCGBSMEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-15-14-18-12(11-4-2-3-7-16-11)8-13(19-14)17-9-10-5-6-10/h2-4,7-8,10H,5-6,9H2,1H3,(H2,15,17,18,19).
What are the key properties of 4-N-(cyclopropylmethyl)-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine?
4-N-(cyclopropylmethyl)-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine has a molecular weight of 255.33 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclopropylmethyl)-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 118716402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).