2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrimidin-4-amine

C12H19ClN4 — CID 80703179

IUPAC2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrimidin-4-amine
SMILESCN(C)C1(CNc2ccnc(Cl)n2)CCCC1
InChIInChI=1S/C12H19ClN4/c1-17(2)12(6-3-4-7-12)9-15-10-5-8-14-11(13)16-10/h5,8H,3-4,6-7,9H2,1-2H3,(H,14,15,16)
InChIKeyYGRITDSUNOIUBZ-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.42
Rot. Bonds4

About 2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrimidin-4-amine

2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrimidin-4-amine (PubChem CID 80703179) has the molecular formula C12H19ClN4 and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrimidin-4-amine
PubChem CID80703179
Molecular FormulaC12H19ClN4
Molecular Weight254.76 g/mol
Exact Mass254.13
IUPAC Name2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrimidin-4-amine
SMILESCN(C)C1(CNc2ccnc(Cl)n2)CCCC1
InChIInChI=1S/C12H19ClN4/c1-17(2)12(6-3-4-7-12)9-15-10-5-8-14-11(13)16-10/h5,8H,3-4,6-7,9H2,1-2H3,(H,14,15,16)
InChIKeyYGRITDSUNOIUBZ-UHFFFAOYSA-N
XLogP2.42
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrimidin-4-amine (CID 80703179) is 2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrimidin-4-amine is CN(C)C1(CNc2ccnc(Cl)n2)CCCC1.
What is the InChIKey of 2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrimidin-4-amine?
The InChIKey is YGRITDSUNOIUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4/c1-17(2)12(6-3-4-7-12)9-15-10-5-8-14-11(13)16-10/h5,8H,3-4,6-7,9H2,1-2H3,(H,14,15,16).
What are the key properties of 2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrimidin-4-amine?
2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrimidin-4-amine has a molecular weight of 254.76 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 80703179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).