5-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-4-amine

C11H11ClN4 — CID 105369414

IUPAC5-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
SMILESCc1cccnc1CNc1ncncc1Cl
InChIInChI=1S/C11H11ClN4/c1-8-3-2-4-14-10(8)6-15-11-9(12)5-13-7-16-11/h2-5,7H,6H2,1H3,(H,13,15,16)
InChIKeyOLNASRAEMNSTHI-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.45
Rot. Bonds3

About 5-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-4-amine

5-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-4-amine (PubChem CID 105369414) has the molecular formula C11H11ClN4 and a molecular weight of 234.69 g/mol. Its IUPAC name is 5-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
PubChem CID105369414
Molecular FormulaC11H11ClN4
Molecular Weight234.69 g/mol
Exact Mass234.07
IUPAC Name5-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
SMILESCc1cccnc1CNc1ncncc1Cl
InChIInChI=1S/C11H11ClN4/c1-8-3-2-4-14-10(8)6-15-11-9(12)5-13-7-16-11/h2-5,7H,6H2,1H3,(H,13,15,16)
InChIKeyOLNASRAEMNSTHI-UHFFFAOYSA-N
XLogP2.45
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine
CID 63306272
5-chloro-2-N-ethyl-4-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 80830405
3,5-dichloro-2-N-ethyl-6-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,6-diamine
CID 102758257
3,5-dichloro-6-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,6-diamine
CID 102758255
2-[[2-[[(5-chloropyrimidin-4-yl)amino]methyl]-3-methyl-4-pyridinyl]oxy]ethanol
CID 22460729
5-chloro-N-[2-(2-methylphenyl)ethyl]pyrimidin-4-amine
CID 105369517
5-chloro-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-4-amine
CID 105369277
5-chloro-4-[(3-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 136975684
N-[(3-methyl-2-pyridinyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63306311
5-chloro-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
CID 105369387
3-bromo-4-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine
CID 106875724
4-N-[(3-methyl-2-pyridinyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80830321

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-4-amine (CID 105369414) is 5-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-4-amine is Cc1cccnc1CNc1ncncc1Cl.
What is the InChIKey of 5-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-4-amine?
The InChIKey is OLNASRAEMNSTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4/c1-8-3-2-4-14-10(8)6-15-11-9(12)5-13-7-16-11/h2-5,7H,6H2,1H3,(H,13,15,16).
What are the key properties of 5-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-4-amine?
5-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-4-amine has a molecular weight of 234.69 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 105369414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).