5-chloro-2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine

C11H17ClN4 — CID 80839936

IUPAC5-chloro-2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine
SMILESCNc1ncc(Cl)c(N(C)CC2CC2C)n1
InChIInChI=1S/C11H17ClN4/c1-7-4-8(7)6-16(3)10-9(12)5-14-11(13-2)15-10/h5,7-8H,4,6H2,1-3H3,(H,13,14,15)
InChIKeyMZVUUQUTRHVPAV-UHFFFAOYSA-N
MW240.74 g/mol
LogP2.26
Rot. Bonds4

About 5-chloro-2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine

5-chloro-2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine (PubChem CID 80839936) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is 5-chloro-2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine
PubChem CID80839936
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC Name5-chloro-2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine
SMILESCNc1ncc(Cl)c(N(C)CC2CC2C)n1
InChIInChI=1S/C11H17ClN4/c1-7-4-8(7)6-16(3)10-9(12)5-14-11(13-2)15-10/h5,7-8H,4,6H2,1-3H3,(H,13,14,15)
InChIKeyMZVUUQUTRHVPAV-UHFFFAOYSA-N
XLogP2.26
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 80838183
5-chloro-4-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80845870
5-chloro-2-N,4-N-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
CID 112667666
5-chloro-4-N-(2-methoxyethyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80796727
5-chloro-2-N,4-N-dimethyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine
CID 80829025
2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]-methylamino]-N-cyclopropylacetamide
CID 80821198
5-chloro-2-N,4-N-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 80799540
5-chloro-4-N-(cyclopropylmethyl)-2-N-methyl-4-N-propylpyrimidine-2,4-diamine
CID 80799164
5-chloro-4-(chloromethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine
CID 114921067
[5-chloro-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-4-pyridinyl]methanol
CID 114920412
2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80838670
5-bromo-2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]pyridine-2,3-diamine
CID 63879585

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine (CID 80839936) is 5-chloro-2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine is CNc1ncc(Cl)c(N(C)CC2CC2C)n1.
What is the InChIKey of 5-chloro-2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is MZVUUQUTRHVPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4/c1-7-4-8(7)6-16(3)10-9(12)5-14-11(13-2)15-10/h5,7-8H,4,6H2,1-3H3,(H,13,14,15).
What are the key properties of 5-chloro-2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine?
5-chloro-2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 240.74 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80839936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).