N,N-dimethyl-1-[4-methyl-5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-amine

C15H27N5 — CID 83185385

IUPACN,N-dimethyl-1-[4-methyl-5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-amine
SMILESCc1nc(N2CCC(N(C)C)C2)ncc1CNC(C)C
InChIInChI=1S/C15H27N5/c1-11(2)16-8-13-9-17-15(18-12(13)3)20-7-6-14(10-20)19(4)5/h9,11,14,16H,6-8,10H2,1-5H3
InChIKeyQRSXEWLJXDUMDL-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.42
Rot. Bonds5

About N,N-dimethyl-1-[4-methyl-5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-amine

N,N-dimethyl-1-[4-methyl-5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-amine (PubChem CID 83185385) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-methyl-5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-methyl-5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-amine
PubChem CID83185385
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC NameN,N-dimethyl-1-[4-methyl-5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-amine
SMILESCc1nc(N2CCC(N(C)C)C2)ncc1CNC(C)C
InChIInChI=1S/C15H27N5/c1-11(2)16-8-13-9-17-15(18-12(13)3)20-7-6-14(10-20)19(4)5/h9,11,14,16H,6-8,10H2,1-5H3
InChIKeyQRSXEWLJXDUMDL-UHFFFAOYSA-N
XLogP1.42
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-1-[4-methyl-5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-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,N-dimethyl-1-[4-methyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-amine
CID 83179302
N,N-dimethyl-1-[4-methyl-5-(propylaminomethyl)pyrimidin-2-yl]pyrrolidin-3-amine
CID 83185384
N,N-dimethyl-1-[4-methyl-5-(methylaminomethyl)pyrimidin-2-yl]piperidin-4-amine
CID 83185173
1-[5-(chloromethyl)-4-methylpyrimidin-2-yl]-N,N-dimethylpiperidin-3-amine
CID 83184413
N-[[2-(3-ethoxypiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
CID 83179109
N-[[4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine
CID 83180428
N-[[2-(3,3-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
CID 83189092
N-[[2-(2,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
CID 83189393
N,N-dimethyl-1-[3-methyl-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-amine
CID 63165115
N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 103502946
N-[[4-methyl-2-(3-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 83185436
N,4-dimethyl-N-(oxan-4-yl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine
CID 83185887

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-methyl-5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-amine?
The IUPAC name of N,N-dimethyl-1-[4-methyl-5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-amine (CID 83185385) is N,N-dimethyl-1-[4-methyl-5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-dimethyl-1-[4-methyl-5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-amine?
The canonical SMILES for N,N-dimethyl-1-[4-methyl-5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-amine is Cc1nc(N2CCC(N(C)C)C2)ncc1CNC(C)C.
What is the InChIKey of N,N-dimethyl-1-[4-methyl-5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-amine?
The InChIKey is QRSXEWLJXDUMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-11(2)16-8-13-9-17-15(18-12(13)3)20-7-6-14(10-20)19(4)5/h9,11,14,16H,6-8,10H2,1-5H3.
What are the key properties of N,N-dimethyl-1-[4-methyl-5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-amine?
N,N-dimethyl-1-[4-methyl-5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-amine has a molecular weight of 277.42 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-methyl-5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-amine is sourced from PubChem (CID 83185385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).