4-N,6-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine

C12H21N5 — CID 80848121

IUPAC4-N,6-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cc(N(C)CC2CCCN2C)nc(N)n1
InChIInChI=1S/C12H21N5/c1-9-7-11(15-12(13)14-9)17(3)8-10-5-4-6-16(10)2/h7,10H,4-6,8H2,1-3H3,(H2,13,14,15)
InChIKeyPWKJVNUVXVVQAP-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.90
Rot. Bonds3

About 4-N,6-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine

4-N,6-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 80848121) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-N,6-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,6-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine
PubChem CID80848121
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name4-N,6-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cc(N(C)CC2CCCN2C)nc(N)n1
InChIInChI=1S/C12H21N5/c1-9-7-11(15-12(13)14-9)17(3)8-10-5-4-6-16(10)2/h7,10H,4-6,8H2,1-3H3,(H2,13,14,15)
InChIKeyPWKJVNUVXVVQAP-UHFFFAOYSA-N
XLogP0.90
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772433
4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80848122
4,6-dimethyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-3-carbothioamide
CID 79314276
4-methyl-6-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine
CID 68982243
4-N,6-dimethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 78928250
6-(2-aminoethyl)-N,2-dimethyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]pyrimidin-4-amine
CID 95211925
2-N,2-N-diethyl-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80835728
6-methoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80848203
[4,6-dimethyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-3-pyridinyl]methanol
CID 79319243
5-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 79312980
5-bromo-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine
CID 80848913
4-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 79303386

Frequently Asked Questions

What is the IUPAC name of 4-N,6-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N,6-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine (CID 80848121) is 4-N,6-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,6-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,6-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine is Cc1cc(N(C)CC2CCCN2C)nc(N)n1.
What is the InChIKey of 4-N,6-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is PWKJVNUVXVVQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-9-7-11(15-12(13)14-9)17(3)8-10-5-4-6-16(10)2/h7,10H,4-6,8H2,1-3H3,(H2,13,14,15).
What are the key properties of 4-N,6-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine?
4-N,6-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 235.33 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80848121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).