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

C11H11ClN4 — CID 114956528

IUPAC5-chloro-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
SMILESCc1ccncc1CNc1ncc(Cl)cn1
InChIInChI=1S/C11H11ClN4/c1-8-2-3-13-4-9(8)5-14-11-15-6-10(12)7-16-11/h2-4,6-7H,5H2,1H3,(H,14,15,16)
InChIKeyLTTOWPKRDGQAGQ-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.45
Rot. Bonds3

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

5-chloro-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine (PubChem CID 114956528) has the molecular formula C11H11ClN4 and a molecular weight of 234.69 g/mol. Its IUPAC name is 5-chloro-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
PubChem CID114956528
Molecular FormulaC11H11ClN4
Molecular Weight234.69 g/mol
Exact Mass234.07
IUPAC Name5-chloro-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
SMILESCc1ccncc1CNc1ncc(Cl)cn1
InChIInChI=1S/C11H11ClN4/c1-8-2-3-13-4-9(8)5-14-11-15-6-10(12)7-16-11/h2-4,6-7H,5H2,1H3,(H,14,15,16)
InChIKeyLTTOWPKRDGQAGQ-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

5-iodo-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 114956718
N-[(4-methyl-3-pyridinyl)methyl]pyridin-4-amine
CID 114956500
4,6-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 114956711
2-chloro-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]aniline
CID 114075281
N-[(4-methyl-3-pyridinyl)methyl]pyridin-2-amine
CID 91611248
6-chloro-N-[(4-methyl-3-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 114956565
2-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,4-diamine
CID 114954576
N-methyl-1-(4-methyl-3-pyridinyl)methanamine;dihydrochloride
CID 171316354
N-[(4-methyl-3-pyridinyl)methyl]-1-propan-2-ylimidazol-2-amine
CID 106583378
5-chloro-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-4-amine
CID 114956672
4-chloro-3-methyl-2-N-[(4-methyl-3-pyridinyl)methyl]benzene-1,2-diamine
CID 112740911
3,5-dichloro-2-N-ethyl-6-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,6-diamine
CID 102760189

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine (CID 114956528) is 5-chloro-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine is Cc1ccncc1CNc1ncc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine?
The InChIKey is LTTOWPKRDGQAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4/c1-8-2-3-13-4-9(8)5-14-11-15-6-10(12)7-16-11/h2-4,6-7H,5H2,1H3,(H,14,15,16).
What are the key properties of 5-chloro-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine?
5-chloro-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-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-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 114956528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).