N-tert-butyl-6-chloro-2-pyrrolidin-1-ylpyrimidin-4-amine

C12H19ClN4 — CID 19428532

IUPACN-tert-butyl-6-chloro-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCC(C)(C)Nc1cc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C12H19ClN4/c1-12(2,3)16-10-8-9(13)14-11(15-10)17-6-4-5-7-17/h8H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyBZZCUVUISXOXOX-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.94
Rot. Bonds2

About N-tert-butyl-6-chloro-2-pyrrolidin-1-ylpyrimidin-4-amine

N-tert-butyl-6-chloro-2-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 19428532) has the molecular formula C12H19ClN4 and a molecular weight of 254.76 g/mol. Its IUPAC name is N-tert-butyl-6-chloro-2-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-6-chloro-2-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID19428532
Molecular FormulaC12H19ClN4
Molecular Weight254.76 g/mol
Exact Mass254.13
IUPAC NameN-tert-butyl-6-chloro-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCC(C)(C)Nc1cc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C12H19ClN4/c1-12(2,3)16-10-8-9(13)14-11(15-10)17-6-4-5-7-17/h8H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyBZZCUVUISXOXOX-UHFFFAOYSA-N
XLogP2.94
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-6-chloro-2-pyrrolidin-1-ylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-6-piperazin-1-yl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 19428533
6-chloro-N-phenyl-2-piperidin-1-ylpyrimidin-4-amine
CID 11335230
2-N,4-N-ditert-butyl-6-chloropyrimidine-2,4-diamine
CID 19428515
N-tert-butyl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 974630
N,2-ditert-butyl-6-chloropyrimidin-4-amine
CID 80948203
1-[4-[4-(tert-butylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112915012
methyl 6-chloro-2-pyrrolidin-1-ylpyrimidine-4-carboxylate
CID 87349798
4-chloro-6-cyclopropyl-2-pyrrolidin-1-ylpyrimidine
CID 63355532
4-chloro-2-(4-methylpiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 166460131
4-chloro-6-(methoxymethyl)-2-piperidin-1-ylpyrimidine
CID 62319950
6-chloro-2-piperidin-1-ylpyrimidine-4-carboxylic acid
CID 83852710
4-amino-N-[2-(azetidin-1-yl)-6-chloropyrimidin-4-yl]benzenesulfonamide
CID 10807034

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-chloro-2-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-tert-butyl-6-chloro-2-pyrrolidin-1-ylpyrimidin-4-amine (CID 19428532) is N-tert-butyl-6-chloro-2-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-tert-butyl-6-chloro-2-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-tert-butyl-6-chloro-2-pyrrolidin-1-ylpyrimidin-4-amine is CC(C)(C)Nc1cc(Cl)nc(N2CCCC2)n1.
What is the InChIKey of N-tert-butyl-6-chloro-2-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is BZZCUVUISXOXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4/c1-12(2,3)16-10-8-9(13)14-11(15-10)17-6-4-5-7-17/h8H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of N-tert-butyl-6-chloro-2-pyrrolidin-1-ylpyrimidin-4-amine?
N-tert-butyl-6-chloro-2-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 254.76 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-chloro-2-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 19428532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).