N-propyl-5-[(pyridin-3-ylmethylamino)methyl]pyrimidin-2-amine

C14H19N5 — CID 102536371

IUPACN-propyl-5-[(pyridin-3-ylmethylamino)methyl]pyrimidin-2-amine
SMILESCCCNc1ncc(CNCc2cccnc2)cn1
InChIInChI=1S/C14H19N5/c1-2-5-17-14-18-10-13(11-19-14)9-16-8-12-4-3-6-15-7-12/h3-4,6-7,10-11,16H,2,5,8-9H2,1H3,(H,17,18,19)
InChIKeyHVGFHIXASJOQSG-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.98
Rot. Bonds7

About N-propyl-5-[(pyridin-3-ylmethylamino)methyl]pyrimidin-2-amine

N-propyl-5-[(pyridin-3-ylmethylamino)methyl]pyrimidin-2-amine (PubChem CID 102536371) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is N-propyl-5-[(pyridin-3-ylmethylamino)methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-propyl-5-[(pyridin-3-ylmethylamino)methyl]pyrimidin-2-amine
PubChem CID102536371
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC NameN-propyl-5-[(pyridin-3-ylmethylamino)methyl]pyrimidin-2-amine
SMILESCCCNc1ncc(CNCc2cccnc2)cn1
InChIInChI=1S/C14H19N5/c1-2-5-17-14-18-10-13(11-19-14)9-16-8-12-4-3-6-15-7-12/h3-4,6-7,10-11,16H,2,5,8-9H2,1H3,(H,17,18,19)
InChIKeyHVGFHIXASJOQSG-UHFFFAOYSA-N
XLogP1.98
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(5-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 63256061
N-(pyridin-3-ylmethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 63255523
5-methyl-4-N-propyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 117089684
N-(pyridin-3-ylmethyl)heptan-1-amine
CID 4716863
N-propyl-4-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 104737154
1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine
CID 174270590
5-bromo-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 63873980
N-(pyridin-3-ylmethyl)octan-1-amine;hydrochloride
CID 17331176
2-(4-propoxyphenoxy)-N-(pyridin-3-ylmethyl)ethanamine
CID 60684620
1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride
CID 163329891
4-N,5-dimethyl-2-N-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 80787782
1-(3-butoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 39369735

Frequently Asked Questions

What is the IUPAC name of N-propyl-5-[(pyridin-3-ylmethylamino)methyl]pyrimidin-2-amine?
The IUPAC name of N-propyl-5-[(pyridin-3-ylmethylamino)methyl]pyrimidin-2-amine (CID 102536371) is N-propyl-5-[(pyridin-3-ylmethylamino)methyl]pyrimidin-2-amine.
What is the SMILES notation for N-propyl-5-[(pyridin-3-ylmethylamino)methyl]pyrimidin-2-amine?
The canonical SMILES for N-propyl-5-[(pyridin-3-ylmethylamino)methyl]pyrimidin-2-amine is CCCNc1ncc(CNCc2cccnc2)cn1.
What is the InChIKey of N-propyl-5-[(pyridin-3-ylmethylamino)methyl]pyrimidin-2-amine?
The InChIKey is HVGFHIXASJOQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-2-5-17-14-18-10-13(11-19-14)9-16-8-12-4-3-6-15-7-12/h3-4,6-7,10-11,16H,2,5,8-9H2,1H3,(H,17,18,19).
What are the key properties of N-propyl-5-[(pyridin-3-ylmethylamino)methyl]pyrimidin-2-amine?
N-propyl-5-[(pyridin-3-ylmethylamino)methyl]pyrimidin-2-amine has a molecular weight of 257.34 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5-[(pyridin-3-ylmethylamino)methyl]pyrimidin-2-amine is sourced from PubChem (CID 102536371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).