2-N,2-N-dimethyl-4-N-[1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]pyrimidine-2,4-diamine

C15H21N7 — CID 172899532

IUPAC2-N,2-N-dimethyl-4-N-[1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]pyrimidine-2,4-diamine
SMILESCc1ccnc(N2CCC(Nc3ccnc(N(C)C)n3)C2)n1
InChIInChI=1S/C15H21N7/c1-11-4-7-17-15(18-11)22-9-6-12(10-22)19-13-5-8-16-14(20-13)21(2)3/h4-5,7-8,12H,6,9-10H2,1-3H3,(H,16,19,20)
InChIKeyPQZVFMXEDQNBSB-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.33
Rot. Bonds4

About 2-N,2-N-dimethyl-4-N-[1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]pyrimidine-2,4-diamine

2-N,2-N-dimethyl-4-N-[1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]pyrimidine-2,4-diamine (PubChem CID 172899532) has the molecular formula C15H21N7 and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-4-N-[1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-4-N-[1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]pyrimidine-2,4-diamine
PubChem CID172899532
Molecular FormulaC15H21N7
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC Name2-N,2-N-dimethyl-4-N-[1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]pyrimidine-2,4-diamine
SMILESCc1ccnc(N2CCC(Nc3ccnc(N(C)C)n3)C2)n1
InChIInChI=1S/C15H21N7/c1-11-4-7-17-15(18-11)22-9-6-12(10-22)19-13-5-8-16-14(20-13)21(2)3/h4-5,7-8,12H,6,9-10H2,1-3H3,(H,16,19,20)
InChIKeyPQZVFMXEDQNBSB-UHFFFAOYSA-N
XLogP1.33
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 172901240
N,N-dimethyl-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-amine
CID 123144666
2-N,2-N-dimethyl-4-N-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine-2,4-diamine
CID 172900660
2-N,2-N,4-N-trimethyl-4-N-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]pyrimidine-2,4-diamine
CID 172899884
3-bromo-5-[3-[[2-(dimethylamino)pyrimidin-4-yl]amino]pyrrolidin-1-yl]benzonitrile
CID 175650072
2-N,2-N-dimethyl-4-N-[1-[2-(triazol-2-yl)ethyl]piperidin-3-yl]pyrimidine-2,4-diamine
CID 175649042
2-[3-[[2-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]benzonitrile
CID 175649533
2-N,2-N-dimethyl-4-N-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrimidine-2,4-diamine
CID 172900281
4-methyl-2-(3-methylpiperidin-1-yl)pyrimidine
CID 89079553
4-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 139013055
2-N,2-N-dimethyl-4-N-[1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-yl]pyrimidine-2,4-diamine
CID 175649508
2-[(3S)-3-fluoropiperidin-1-yl]-4-methylpyrimidine
CID 129349446

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-4-N-[1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-4-N-[1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]pyrimidine-2,4-diamine (CID 172899532) is 2-N,2-N-dimethyl-4-N-[1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-4-N-[1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-4-N-[1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]pyrimidine-2,4-diamine is Cc1ccnc(N2CCC(Nc3ccnc(N(C)C)n3)C2)n1.
What is the InChIKey of 2-N,2-N-dimethyl-4-N-[1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]pyrimidine-2,4-diamine?
The InChIKey is PQZVFMXEDQNBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7/c1-11-4-7-17-15(18-11)22-9-6-12(10-22)19-13-5-8-16-14(20-13)21(2)3/h4-5,7-8,12H,6,9-10H2,1-3H3,(H,16,19,20).
What are the key properties of 2-N,2-N-dimethyl-4-N-[1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]pyrimidine-2,4-diamine?
2-N,2-N-dimethyl-4-N-[1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]pyrimidine-2,4-diamine has a molecular weight of 299.38 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-4-N-[1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 172899532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).