2-chloro-6-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidin-4-amine

C11H12ClN3O — CID 62523397

IUPAC2-chloro-6-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidin-4-amine
SMILESCc1cc(NCc2ccc(C)o2)nc(Cl)n1
InChIInChI=1S/C11H12ClN3O/c1-7-5-10(15-11(12)14-7)13-6-9-4-3-8(2)16-9/h3-5H,6H2,1-2H3,(H,13,14,15)
InChIKeyXLVZXGHKLUMFLH-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.95
Rot. Bonds3

About 2-chloro-6-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidin-4-amine

2-chloro-6-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidin-4-amine (PubChem CID 62523397) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidin-4-amine
PubChem CID62523397
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name2-chloro-6-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidin-4-amine
SMILESCc1cc(NCc2ccc(C)o2)nc(Cl)n1
InChIInChI=1S/C11H12ClN3O/c1-7-5-10(15-11(12)14-7)13-6-9-4-3-8(2)16-9/h3-5H,6H2,1-2H3,(H,13,14,15)
InChIKeyXLVZXGHKLUMFLH-UHFFFAOYSA-N
XLogP2.95
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-methyl-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-2-carboxylate
CID 66284656
6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4,6-triamine
CID 80832161
2-[[(2-chloro-6-methylpyrimidin-4-yl)amino]methyl]phenol
CID 53250725
2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 62482411
N-[(4-bromophenyl)methyl]-2-chloro-6-methylpyrimidin-4-amine
CID 62475587
2-tert-butyl-6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine
CID 80958124
2-chloro-6-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 62476257
6-N-[(5-methylfuran-2-yl)methyl]pyridine-2,6-diamine
CID 80646710
2-chloro-N-[(5-methylfuran-2-yl)methyl]thieno[3,2-d]pyrimidin-4-amine
CID 112750238
2-cyclopropyl-4-[(5-methylfuran-2-yl)methylamino]-1H-pyrimidin-6-one
CID 137016366
6-methyl-2-[(5-methylfuran-2-yl)methylamino]pyrimidine-4-carbothioamide
CID 107547305
5-chloro-2-fluoro-N-[(5-methylfuran-2-yl)methyl]aniline
CID 43438391

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-6-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidin-4-amine (CID 62523397) is 2-chloro-6-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidin-4-amine is Cc1cc(NCc2ccc(C)o2)nc(Cl)n1.
What is the InChIKey of 2-chloro-6-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is XLVZXGHKLUMFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-7-5-10(15-11(12)14-7)13-6-9-4-3-8(2)16-9/h3-5H,6H2,1-2H3,(H,13,14,15).
What are the key properties of 2-chloro-6-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidin-4-amine?
2-chloro-6-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 237.69 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 62523397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).