2-tert-butyl-6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrimidin-4-amine

C16H27ClN4 — CID 83113055

IUPAC2-tert-butyl-6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrimidin-4-amine
SMILESCN(C)C1(CNc2cc(Cl)nc(C(C)(C)C)n2)CCCC1
InChIInChI=1S/C16H27ClN4/c1-15(2,3)14-19-12(17)10-13(20-14)18-11-16(21(4)5)8-6-7-9-16/h10H,6-9,11H2,1-5H3,(H,18,19,20)
InChIKeyBJEFBBRSSHUXDE-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.71
Rot. Bonds4

About 2-tert-butyl-6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrimidin-4-amine

2-tert-butyl-6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrimidin-4-amine (PubChem CID 83113055) has the molecular formula C16H27ClN4 and a molecular weight of 310.87 g/mol. Its IUPAC name is 2-tert-butyl-6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrimidin-4-amine
PubChem CID83113055
Molecular FormulaC16H27ClN4
Molecular Weight310.87 g/mol
Exact Mass310.19
IUPAC Name2-tert-butyl-6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrimidin-4-amine
SMILESCN(C)C1(CNc2cc(Cl)nc(C(C)(C)C)n2)CCCC1
InChIInChI=1S/C16H27ClN4/c1-15(2,3)14-19-12(17)10-13(20-14)18-11-16(21(4)5)8-6-7-9-16/h10H,6-9,11H2,1-5H3,(H,18,19,20)
InChIKeyBJEFBBRSSHUXDE-UHFFFAOYSA-N
XLogP3.71
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrimidin-4-amine (CID 83113055) is 2-tert-butyl-6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrimidin-4-amine is CN(C)C1(CNc2cc(Cl)nc(C(C)(C)C)n2)CCCC1.
What is the InChIKey of 2-tert-butyl-6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrimidin-4-amine?
The InChIKey is BJEFBBRSSHUXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN4/c1-15(2,3)14-19-12(17)10-13(20-14)18-11-16(21(4)5)8-6-7-9-16/h10H,6-9,11H2,1-5H3,(H,18,19,20).
What are the key properties of 2-tert-butyl-6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrimidin-4-amine?
2-tert-butyl-6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrimidin-4-amine has a molecular weight of 310.87 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 83113055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).