2-tert-butyl-6-chloro-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine

C13H21ClN4 — CID 80953646

IUPAC2-tert-butyl-6-chloro-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine
SMILESCN1CCC(Nc2cc(Cl)nc(C(C)(C)C)n2)C1
InChIInChI=1S/C13H21ClN4/c1-13(2,3)12-16-10(14)7-11(17-12)15-9-5-6-18(4)8-9/h7,9H,5-6,8H2,1-4H3,(H,15,16,17)
InChIKeyDZMMKCSXXYSLBK-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.54
Rot. Bonds2

About 2-tert-butyl-6-chloro-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine

2-tert-butyl-6-chloro-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine (PubChem CID 80953646) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-tert-butyl-6-chloro-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-chloro-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine
PubChem CID80953646
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name2-tert-butyl-6-chloro-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine
SMILESCN1CCC(Nc2cc(Cl)nc(C(C)(C)C)n2)C1
InChIInChI=1S/C13H21ClN4/c1-13(2,3)12-16-10(14)7-11(17-12)15-9-5-6-18(4)8-9/h7,9H,5-6,8H2,1-4H3,(H,15,16,17)
InChIKeyDZMMKCSXXYSLBK-UHFFFAOYSA-N
XLogP2.54
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-[(1-methylpyrrolidin-3-yl)amino]pyridine-4-carboxylic acid
CID 54949787
2-chloro-6-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine
CID 62481987
2-tert-butyl-6-chloro-N-(thiolan-3-yl)pyrimidin-4-amine
CID 103064299
6-tert-butyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine
CID 66740280
2-tert-butyl-6-chloro-N-(1,1-dioxothian-3-yl)pyrimidin-4-amine
CID 80951726
2-tert-butyl-6-chloro-N-(oxan-3-yl)pyrimidin-4-amine
CID 80951283
6-chloro-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715566
6-chloro-N-(1-ethylpiperidin-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106193711
2-tert-butyl-4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-methylpyrimidine-4,6-diamine
CID 80968131
2-tert-butyl-6-chloro-N-(2-methyloxolan-3-yl)pyrimidin-4-amine
CID 82729410
6-chloro-N-[(1-methylpiperidin-4-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767551
6-chloro-2-N-(1-methylazetidin-3-yl)pyridine-2,4-diamine
CID 130834085

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-chloro-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-chloro-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine (CID 80953646) is 2-tert-butyl-6-chloro-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-chloro-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-chloro-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine is CN1CCC(Nc2cc(Cl)nc(C(C)(C)C)n2)C1.
What is the InChIKey of 2-tert-butyl-6-chloro-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine?
The InChIKey is DZMMKCSXXYSLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-13(2,3)12-16-10(14)7-11(17-12)15-9-5-6-18(4)8-9/h7,9H,5-6,8H2,1-4H3,(H,15,16,17).
What are the key properties of 2-tert-butyl-6-chloro-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine?
2-tert-butyl-6-chloro-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine has a molecular weight of 268.79 g/mol, XLogP of 2.54, 2 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-methylpyrrolidin-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 80953646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).