(4-chloropyrido[2,3-d]pyrimidin-2-yl)methanamine

C8H7ClN4 — CID 117274576

IUPAC(4-chloropyrido[2,3-d]pyrimidin-2-yl)methanamine
SMILESNCc1nc(Cl)c2cccnc2n1
InChIInChI=1S/C8H7ClN4/c9-7-5-2-1-3-11-8(5)13-6(4-10)12-7/h1-3H,4,10H2
InChIKeyMYFZPFRYMWUGBZ-UHFFFAOYSA-N
MW194.62 g/mol
LogP1.14
Rot. Bonds1

About (4-chloropyrido[2,3-d]pyrimidin-2-yl)methanamine

(4-chloropyrido[2,3-d]pyrimidin-2-yl)methanamine (PubChem CID 117274576) has the molecular formula C8H7ClN4 and a molecular weight of 194.62 g/mol. Its IUPAC name is (4-chloropyrido[2,3-d]pyrimidin-2-yl)methanamine.

Molecular Properties

Compound Name(4-chloropyrido[2,3-d]pyrimidin-2-yl)methanamine
PubChem CID117274576
Molecular FormulaC8H7ClN4
Molecular Weight194.62 g/mol
Exact Mass194.04
IUPAC Name(4-chloropyrido[2,3-d]pyrimidin-2-yl)methanamine
SMILESNCc1nc(Cl)c2cccnc2n1
InChIInChI=1S/C8H7ClN4/c9-7-5-2-1-3-11-8(5)13-6(4-10)12-7/h1-3H,4,10H2
InChIKeyMYFZPFRYMWUGBZ-UHFFFAOYSA-N
XLogP1.14
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-8-fluoroquinazolin-2-yl)methanamine
CID 84781950
(4,6-dichloroquinazolin-2-yl)methanamine
CID 105485144
(3-chloro-2-pyridinyl)methanamine;hydrochloride
CID 86346205
2-(1-benzothiophen-2-yl)-4-chloropyrido[2,3-d]pyrimidine
CID 59130375
2-(aminomethyl)-8-chloroquinazolin-4-amine
CID 105462502
2,4-dichloro-N-ethyl-1,8-naphthyridine-3-carboxamide
CID 91619436
6-chloro-9-(4-methoxyphenoxy)benzo[c][1,8]naphthyridine
CID 58168145
[4-(2-chloroethyl)pteridin-2-yl]methanamine
CID 23182427
4-methyl-1,8-naphthyridin-2-amine
CID 23008692
3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-ylmethanamine
CID 103318526
2,4-dichloro-N,N-dimethyl-1,8-naphthyridine-3-carboxamide
CID 3079845
3-amino-2-(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-one
CID 71741970

Frequently Asked Questions

What is the IUPAC name of (4-chloropyrido[2,3-d]pyrimidin-2-yl)methanamine?
The IUPAC name of (4-chloropyrido[2,3-d]pyrimidin-2-yl)methanamine (CID 117274576) is (4-chloropyrido[2,3-d]pyrimidin-2-yl)methanamine.
What is the SMILES notation for (4-chloropyrido[2,3-d]pyrimidin-2-yl)methanamine?
The canonical SMILES for (4-chloropyrido[2,3-d]pyrimidin-2-yl)methanamine is NCc1nc(Cl)c2cccnc2n1.
What is the InChIKey of (4-chloropyrido[2,3-d]pyrimidin-2-yl)methanamine?
The InChIKey is MYFZPFRYMWUGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4/c9-7-5-2-1-3-11-8(5)13-6(4-10)12-7/h1-3H,4,10H2.
What are the key properties of (4-chloropyrido[2,3-d]pyrimidin-2-yl)methanamine?
(4-chloropyrido[2,3-d]pyrimidin-2-yl)methanamine has a molecular weight of 194.62 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloropyrido[2,3-d]pyrimidin-2-yl)methanamine is sourced from PubChem (CID 117274576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).