1-[2-(pyridin-2-ylmethyl)pyrimidin-5-yl]butan-2-amine

C14H18N4 — CID 55113743

IUPAC1-[2-(pyridin-2-ylmethyl)pyrimidin-5-yl]butan-2-amine
SMILESCCC(N)Cc1cnc(Cc2ccccn2)nc1
InChIInChI=1S/C14H18N4/c1-2-12(15)7-11-9-17-14(18-10-11)8-13-5-3-4-6-16-13/h3-6,9-10,12H,2,7-8,15H2,1H3
InChIKeyBRSJRFMGZNPRFN-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.74
Rot. Bonds5

About 1-[2-(pyridin-2-ylmethyl)pyrimidin-5-yl]butan-2-amine

1-[2-(pyridin-2-ylmethyl)pyrimidin-5-yl]butan-2-amine (PubChem CID 55113743) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 1-[2-(pyridin-2-ylmethyl)pyrimidin-5-yl]butan-2-amine.

Molecular Properties

Compound Name1-[2-(pyridin-2-ylmethyl)pyrimidin-5-yl]butan-2-amine
PubChem CID55113743
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name1-[2-(pyridin-2-ylmethyl)pyrimidin-5-yl]butan-2-amine
SMILESCCC(N)Cc1cnc(Cc2ccccn2)nc1
InChIInChI=1S/C14H18N4/c1-2-12(15)7-11-9-17-14(18-10-11)8-13-5-3-4-6-16-13/h3-6,9-10,12H,2,7-8,15H2,1H3
InChIKeyBRSJRFMGZNPRFN-UHFFFAOYSA-N
XLogP1.74
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2-bromophenyl)methyl]pyrimidin-5-yl]butan-2-amine
CID 55118280
N-[[2-(pyridin-2-ylmethyl)pyrimidin-5-yl]methyl]ethanamine
CID 62757130
1-[2-(2-methylpropyl)pyrimidin-5-yl]butan-2-amine
CID 62757730
1-(6-pyridin-2-ylsulfanyl-3-pyridinyl)butan-2-amine
CID 80650790
2-(2-aminobutyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 63786813
1-(4-pyridin-2-ylphenyl)butan-2-amine;hydrochloride
CID 170889160
1-[2-(aminomethyl)-4-pyridinyl]butan-2-amine
CID 170890841
4-methyl-1-pyridin-2-ylpentan-2-amine
CID 43118867
(2R)-1-N,1-N-bis(pyridin-2-ylmethyl)butane-1,2-diamine
CID 102044881
4-amino-1-pyridin-2-ylhexan-2-one
CID 116609167
(2S)-1-pyridin-2-ylpropan-2-amine
CID 42037572
(2S)-1-pyridin-3-ylbutan-2-amine
CID 93246137

Frequently Asked Questions

What is the IUPAC name of 1-[2-(pyridin-2-ylmethyl)pyrimidin-5-yl]butan-2-amine?
The IUPAC name of 1-[2-(pyridin-2-ylmethyl)pyrimidin-5-yl]butan-2-amine (CID 55113743) is 1-[2-(pyridin-2-ylmethyl)pyrimidin-5-yl]butan-2-amine.
What is the SMILES notation for 1-[2-(pyridin-2-ylmethyl)pyrimidin-5-yl]butan-2-amine?
The canonical SMILES for 1-[2-(pyridin-2-ylmethyl)pyrimidin-5-yl]butan-2-amine is CCC(N)Cc1cnc(Cc2ccccn2)nc1.
What is the InChIKey of 1-[2-(pyridin-2-ylmethyl)pyrimidin-5-yl]butan-2-amine?
The InChIKey is BRSJRFMGZNPRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-2-12(15)7-11-9-17-14(18-10-11)8-13-5-3-4-6-16-13/h3-6,9-10,12H,2,7-8,15H2,1H3.
What are the key properties of 1-[2-(pyridin-2-ylmethyl)pyrimidin-5-yl]butan-2-amine?
1-[2-(pyridin-2-ylmethyl)pyrimidin-5-yl]butan-2-amine has a molecular weight of 242.33 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(pyridin-2-ylmethyl)pyrimidin-5-yl]butan-2-amine is sourced from PubChem (CID 55113743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).