2-N,2-N-dimethyl-4-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidine-2,4-diamine

C12H21N5 — CID 104972916

IUPAC2-N,2-N-dimethyl-4-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidine-2,4-diamine
SMILESCN(C)c1nccc(NCC[C@H]2CCCN2)n1
InChIInChI=1S/C12H21N5/c1-17(2)12-15-9-6-11(16-12)14-8-5-10-4-3-7-13-10/h6,9-10,13H,3-5,7-8H2,1-2H3,(H,14,15,16)/t10-/m1/s1
InChIKeyATPVJWNKMBRYDV-SNVBAGLBSA-N
MW235.33 g/mol
LogP1.10
Rot. Bonds5

About 2-N,2-N-dimethyl-4-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidine-2,4-diamine

2-N,2-N-dimethyl-4-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidine-2,4-diamine (PubChem CID 104972916) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-4-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-4-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidine-2,4-diamine
PubChem CID104972916
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name2-N,2-N-dimethyl-4-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidine-2,4-diamine
SMILESCN(C)c1nccc(NCC[C@H]2CCCN2)n1
InChIInChI=1S/C12H21N5/c1-17(2)12-15-9-6-11(16-12)14-8-5-10-4-3-7-13-10/h6,9-10,13H,3-5,7-8H2,1-2H3,(H,14,15,16)/t10-/m1/s1
InChIKeyATPVJWNKMBRYDV-SNVBAGLBSA-N
XLogP1.10
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N,2-N-dimethyl-4-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidine-2,4-diamine 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

4-N-(2-cyclobutylethyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 115689924
6-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 104972856
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 104973469
6-(2-pyrrolidin-2-ylethylamino)pyridine-2-carbonitrile
CID 114794421
2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
CID 83836780
3-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 106876235
4-propoxy-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine
CID 114794433
3-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 104973363
N,N-dimethyl-6-(2-pyrrolidin-2-ylethylamino)pyridazine-3-carboxamide
CID 114794623
6-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine
CID 104973152
2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71643330
4,6-dimethyl-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine
CID 114794364

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-4-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-4-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidine-2,4-diamine (CID 104972916) is 2-N,2-N-dimethyl-4-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-4-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-4-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidine-2,4-diamine is CN(C)c1nccc(NCC[C@H]2CCCN2)n1.
What is the InChIKey of 2-N,2-N-dimethyl-4-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidine-2,4-diamine?
The InChIKey is ATPVJWNKMBRYDV-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H21N5/c1-17(2)12-15-9-6-11(16-12)14-8-5-10-4-3-7-13-10/h6,9-10,13H,3-5,7-8H2,1-2H3,(H,14,15,16)/t10-/m1/s1.
What are the key properties of 2-N,2-N-dimethyl-4-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidine-2,4-diamine?
2-N,2-N-dimethyl-4-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidine-2,4-diamine has a molecular weight of 235.33 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-4-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 104972916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).