6-chloro-N-methylpyrimidin-4-amine;4,6-dichloropyrimidine;methanamine

C10H13Cl3N6 — CID 159631663

IUPAC6-chloro-N-methylpyrimidin-4-amine;4,6-dichloropyrimidine;methanamine
SMILESCN.CNc1cc(Cl)ncn1.Clc1cc(Cl)ncn1
InChIInChI=1S/C5H6ClN3.C4H2Cl2N2.CH5N/c1-7-5-2-4(6)8-3-9-5;5-3-1-4(6)8-2-7-3;1-2/h2-3H,1H3,(H,7,8,9);1-2H;2H2,1H3
InChIKeyMPFAMFTYEXDEQE-UHFFFAOYSA-N
MW323.62 g/mol
LogP2.53
Rot. Bonds1

About 6-chloro-N-methylpyrimidin-4-amine;4,6-dichloropyrimidine;methanamine

6-chloro-N-methylpyrimidin-4-amine;4,6-dichloropyrimidine;methanamine (PubChem CID 159631663) has the molecular formula C10H13Cl3N6 and a molecular weight of 323.62 g/mol. Its IUPAC name is 6-chloro-N-methylpyrimidin-4-amine;4,6-dichloropyrimidine;methanamine.

Molecular Properties

Compound Name6-chloro-N-methylpyrimidin-4-amine;4,6-dichloropyrimidine;methanamine
PubChem CID159631663
Molecular FormulaC10H13Cl3N6
Molecular Weight323.62 g/mol
Exact Mass322.03
IUPAC Name6-chloro-N-methylpyrimidin-4-amine;4,6-dichloropyrimidine;methanamine
SMILESCN.CNc1cc(Cl)ncn1.Clc1cc(Cl)ncn1
InChIInChI=1S/C5H6ClN3.C4H2Cl2N2.CH5N/c1-7-5-2-4(6)8-3-9-5;5-3-1-4(6)8-2-7-3;1-2/h2-3H,1H3,(H,7,8,9);1-2H;2H2,1H3
InChIKeyMPFAMFTYEXDEQE-UHFFFAOYSA-N
XLogP2.53
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.62
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N-(6-chloropyrimidin-4-yl)pyrimidin-4-amine
CID 56605349
N-(6-chloropyrimidin-4-yl)acetamide;4,6-dichloropyrimidine
CID 160592150
4-N-(3,5-dichlorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80768521
6-chloro-N,N-dimethylpyrimidin-4-amine;4,6-dichloropyrimidine;hydrazine;6-hydrazinyl-N,N-dimethylpyrimidin-4-amine;N-methylmethanamine
CID 159006003
6-N-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-4,6-diamine
CID 80759397
N-methyl-6-trimethylstannylpyrimidin-4-amine
CID 165132397
N-(6-chloropyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 56832156
6-chloro-N-(4-chlorophenyl)pyrimidin-4-amine
CID 61279778
6-(methylamino)pyrimidine-4-carbonitrile
CID 22498876
6-chloro-N-(2-methylbutyl)pyrimidin-4-amine
CID 62693783
6-chloro-N-phenylpyrimidin-4-amine;hydrochloride
CID 86673656
6-chloro-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 61278965

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methylpyrimidin-4-amine;4,6-dichloropyrimidine;methanamine?
The IUPAC name of 6-chloro-N-methylpyrimidin-4-amine;4,6-dichloropyrimidine;methanamine (CID 159631663) is 6-chloro-N-methylpyrimidin-4-amine;4,6-dichloropyrimidine;methanamine.
What is the SMILES notation for 6-chloro-N-methylpyrimidin-4-amine;4,6-dichloropyrimidine;methanamine?
The canonical SMILES for 6-chloro-N-methylpyrimidin-4-amine;4,6-dichloropyrimidine;methanamine is CN.CNc1cc(Cl)ncn1.Clc1cc(Cl)ncn1.
What is the InChIKey of 6-chloro-N-methylpyrimidin-4-amine;4,6-dichloropyrimidine;methanamine?
The InChIKey is MPFAMFTYEXDEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN3.C4H2Cl2N2.CH5N/c1-7-5-2-4(6)8-3-9-5;5-3-1-4(6)8-2-7-3;1-2/h2-3H,1H3,(H,7,8,9);1-2H;2H2,1H3.
What are the key properties of 6-chloro-N-methylpyrimidin-4-amine;4,6-dichloropyrimidine;methanamine?
6-chloro-N-methylpyrimidin-4-amine;4,6-dichloropyrimidine;methanamine has a molecular weight of 323.62 g/mol, XLogP of 2.53, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methylpyrimidin-4-amine;4,6-dichloropyrimidine;methanamine is sourced from PubChem (CID 159631663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).