2-N,2-N,6-trimethyl-4-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine

C15H27N5 — CID 95120555

IUPAC2-N,2-N,6-trimethyl-4-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine
SMILESCc1cc(N[C@@H](C)C2CCN(C)CC2)nc(N(C)C)n1
InChIInChI=1S/C15H27N5/c1-11-10-14(18-15(16-11)19(3)4)17-12(2)13-6-8-20(5)9-7-13/h10,12-13H,6-9H2,1-5H3,(H,16,17,18)/t12-/m0/s1
InChIKeyZMTPFEINAPWHHW-LBPRGKRZSA-N
MW277.42 g/mol
LogP1.99
Rot. Bonds4

About 2-N,2-N,6-trimethyl-4-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine

2-N,2-N,6-trimethyl-4-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 95120555) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 2-N,2-N,6-trimethyl-4-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,6-trimethyl-4-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID95120555
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name2-N,2-N,6-trimethyl-4-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine
SMILESCc1cc(N[C@@H](C)C2CCN(C)CC2)nc(N(C)C)n1
InChIInChI=1S/C15H27N5/c1-11-10-14(18-15(16-11)19(3)4)17-12(2)13-6-8-20(5)9-7-13/h10,12-13H,6-9H2,1-5H3,(H,16,17,18)/t12-/m0/s1
InChIKeyZMTPFEINAPWHHW-LBPRGKRZSA-N
XLogP1.99
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,6-trimethyl-4-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N,6-trimethyl-4-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine (CID 95120555) is 2-N,2-N,6-trimethyl-4-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,6-trimethyl-4-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N,6-trimethyl-4-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine is Cc1cc(N[C@@H](C)C2CCN(C)CC2)nc(N(C)C)n1.
What is the InChIKey of 2-N,2-N,6-trimethyl-4-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is ZMTPFEINAPWHHW-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H27N5/c1-11-10-14(18-15(16-11)19(3)4)17-12(2)13-6-8-20(5)9-7-13/h10,12-13H,6-9H2,1-5H3,(H,16,17,18)/t12-/m0/s1.
What are the key properties of 2-N,2-N,6-trimethyl-4-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine?
2-N,2-N,6-trimethyl-4-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 277.42 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,6-trimethyl-4-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 95120555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).