N,N,6-trimethyl-2-[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidin-4-amine

C17H27N7 — CID 95290702

IUPACN,N,6-trimethyl-2-[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidin-4-amine
SMILESCc1cc(N(C)C)nc(N2CCN(Cc3nccn3C)[C@H](C)C2)n1
InChIInChI=1S/C17H27N7/c1-13-10-15(21(3)4)20-17(19-13)24-9-8-23(14(2)11-24)12-16-18-6-7-22(16)5/h6-7,10,14H,8-9,11-12H2,1-5H3/t14-/m1/s1
InChIKeyQHALAVMVAQISCR-CQSZACIVSA-N
MW329.45 g/mol
LogP1.30
Rot. Bonds4

About N,N,6-trimethyl-2-[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidin-4-amine

N,N,6-trimethyl-2-[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidin-4-amine (PubChem CID 95290702) has the molecular formula C17H27N7 and a molecular weight of 329.45 g/mol. Its IUPAC name is N,N,6-trimethyl-2-[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N,6-trimethyl-2-[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidin-4-amine
PubChem CID95290702
Molecular FormulaC17H27N7
Molecular Weight329.45 g/mol
Exact Mass329.23
IUPAC NameN,N,6-trimethyl-2-[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidin-4-amine
SMILESCc1cc(N(C)C)nc(N2CCN(Cc3nccn3C)[C@H](C)C2)n1
InChIInChI=1S/C17H27N7/c1-13-10-15(21(3)4)20-17(19-13)24-9-8-23(14(2)11-24)12-16-18-6-7-22(16)5/h6-7,10,14H,8-9,11-12H2,1-5H3/t14-/m1/s1
InChIKeyQHALAVMVAQISCR-CQSZACIVSA-N
XLogP1.30
TPSA53.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N,6-trimethyl-2-[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of N,N,6-trimethyl-2-[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidin-4-amine (CID 95290702) is N,N,6-trimethyl-2-[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N,N,6-trimethyl-2-[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N,N,6-trimethyl-2-[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidin-4-amine is Cc1cc(N(C)C)nc(N2CCN(Cc3nccn3C)[C@H](C)C2)n1.
What is the InChIKey of N,N,6-trimethyl-2-[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is QHALAVMVAQISCR-CQSZACIVSA-N. The full InChI is InChI=1S/C17H27N7/c1-13-10-15(21(3)4)20-17(19-13)24-9-8-23(14(2)11-24)12-16-18-6-7-22(16)5/h6-7,10,14H,8-9,11-12H2,1-5H3/t14-/m1/s1.
What are the key properties of N,N,6-trimethyl-2-[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidin-4-amine?
N,N,6-trimethyl-2-[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 329.45 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,6-trimethyl-2-[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 95290702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).