2-N,2-N,4-N-trimethyl-4-N-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrimidine-2,4-diamine

C14H25N5 — CID 97317804

IUPAC2-N,2-N,4-N-trimethyl-4-N-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrimidine-2,4-diamine
SMILESCN1CCC[C@H](CN(C)c2ccnc(N(C)C)n2)C1
InChIInChI=1S/C14H25N5/c1-17(2)14-15-8-7-13(16-14)19(4)11-12-6-5-9-18(3)10-12/h7-8,12H,5-6,9-11H2,1-4H3/t12-/m0/s1
InChIKeyCCVUINKXRBNBAB-LBPRGKRZSA-N
MW263.39 g/mol
LogP1.32
Rot. Bonds4

About 2-N,2-N,4-N-trimethyl-4-N-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrimidine-2,4-diamine

2-N,2-N,4-N-trimethyl-4-N-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrimidine-2,4-diamine (PubChem CID 97317804) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 2-N,2-N,4-N-trimethyl-4-N-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N-trimethyl-4-N-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrimidine-2,4-diamine
PubChem CID97317804
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name2-N,2-N,4-N-trimethyl-4-N-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrimidine-2,4-diamine
SMILESCN1CCC[C@H](CN(C)c2ccnc(N(C)C)n2)C1
InChIInChI=1S/C14H25N5/c1-17(2)14-15-8-7-13(16-14)19(4)11-12-6-5-9-18(3)10-12/h7-8,12H,5-6,9-11H2,1-4H3/t12-/m0/s1
InChIKeyCCVUINKXRBNBAB-LBPRGKRZSA-N
XLogP1.32
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-N,2-N,4-N-trimethyl-4-N-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N-trimethyl-4-N-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N-trimethyl-4-N-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrimidine-2,4-diamine (CID 97317804) is 2-N,2-N,4-N-trimethyl-4-N-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N-trimethyl-4-N-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N-trimethyl-4-N-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrimidine-2,4-diamine is CN1CCC[C@H](CN(C)c2ccnc(N(C)C)n2)C1.
What is the InChIKey of 2-N,2-N,4-N-trimethyl-4-N-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrimidine-2,4-diamine?
The InChIKey is CCVUINKXRBNBAB-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H25N5/c1-17(2)14-15-8-7-13(16-14)19(4)11-12-6-5-9-18(3)10-12/h7-8,12H,5-6,9-11H2,1-4H3/t12-/m0/s1.
What are the key properties of 2-N,2-N,4-N-trimethyl-4-N-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrimidine-2,4-diamine?
2-N,2-N,4-N-trimethyl-4-N-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrimidine-2,4-diamine has a molecular weight of 263.39 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N-trimethyl-4-N-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 97317804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).