N,N,4-trimethyl-6-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-2-amine

C19H27N7 — CID 154883425

IUPACN,N,4-trimethyl-6-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-2-amine
SMILESCc1cc(N2CCN(c3ncnc4c3CCCC4)CC2)nc(N(C)C)n1
InChIInChI=1S/C19H27N7/c1-14-12-17(23-19(22-14)24(2)3)25-8-10-26(11-9-25)18-15-6-4-5-7-16(15)20-13-21-18/h12-13H,4-11H2,1-3H3
InChIKeyQNAUUGIPYMZGAM-UHFFFAOYSA-N
MW353.47 g/mol
LogP1.85
Rot. Bonds3

About N,N,4-trimethyl-6-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-2-amine

N,N,4-trimethyl-6-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-2-amine (PubChem CID 154883425) has the molecular formula C19H27N7 and a molecular weight of 353.47 g/mol. Its IUPAC name is N,N,4-trimethyl-6-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-6-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-2-amine
PubChem CID154883425
Molecular FormulaC19H27N7
Molecular Weight353.47 g/mol
Exact Mass353.23
IUPAC NameN,N,4-trimethyl-6-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-2-amine
SMILESCc1cc(N2CCN(c3ncnc4c3CCCC4)CC2)nc(N(C)C)n1
InChIInChI=1S/C19H27N7/c1-14-12-17(23-19(22-14)24(2)3)25-8-10-26(11-9-25)18-15-6-4-5-7-16(15)20-13-21-18/h12-13H,4-11H2,1-3H3
InChIKeyQNAUUGIPYMZGAM-UHFFFAOYSA-N
XLogP1.85
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-6-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of N,N,4-trimethyl-6-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-2-amine (CID 154883425) is N,N,4-trimethyl-6-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for N,N,4-trimethyl-6-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for N,N,4-trimethyl-6-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-2-amine is Cc1cc(N2CCN(c3ncnc4c3CCCC4)CC2)nc(N(C)C)n1.
What is the InChIKey of N,N,4-trimethyl-6-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is QNAUUGIPYMZGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7/c1-14-12-17(23-19(22-14)24(2)3)25-8-10-26(11-9-25)18-15-6-4-5-7-16(15)20-13-21-18/h12-13H,4-11H2,1-3H3.
What are the key properties of N,N,4-trimethyl-6-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-2-amine?
N,N,4-trimethyl-6-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 353.47 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-6-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 154883425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).