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

C19H27N7 — CID 133461061

IUPACN,N-dimethyl-4-[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-2-amine
SMILESCc1nc2c(c(N3CCN(c4ccnc(N(C)C)n4)CC3)n1)CCCC2
InChIInChI=1S/C19H27N7/c1-14-21-16-7-5-4-6-15(16)18(22-14)26-12-10-25(11-13-26)17-8-9-20-19(23-17)24(2)3/h8-9H,4-7,10-13H2,1-3H3
InChIKeyVAVKPAZXQATUKF-UHFFFAOYSA-N
MW353.47 g/mol
LogP1.85
Rot. Bonds3

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

N,N-dimethyl-4-[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-2-amine (PubChem CID 133461061) has the molecular formula C19H27N7 and a molecular weight of 353.47 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-2-amine
PubChem CID133461061
Molecular FormulaC19H27N7
Molecular Weight353.47 g/mol
Exact Mass353.23
IUPAC NameN,N-dimethyl-4-[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-2-amine
SMILESCc1nc2c(c(N3CCN(c4ccnc(N(C)C)n4)CC3)n1)CCCC2
InChIInChI=1S/C19H27N7/c1-14-21-16-7-5-4-6-15(16)18(22-14)26-12-10-25(11-13-26)17-8-9-20-19(23-17)24(2)3/h8-9H,4-7,10-13H2,1-3H3
InChIKeyVAVKPAZXQATUKF-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-dimethyl-4-[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of N,N-dimethyl-4-[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-2-amine (CID 133461061) is N,N-dimethyl-4-[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for N,N-dimethyl-4-[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for N,N-dimethyl-4-[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-2-amine is Cc1nc2c(c(N3CCN(c4ccnc(N(C)C)n4)CC3)n1)CCCC2.
What is the InChIKey of N,N-dimethyl-4-[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is VAVKPAZXQATUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7/c1-14-21-16-7-5-4-6-15(16)18(22-14)26-12-10-25(11-13-26)17-8-9-20-19(23-17)24(2)3/h8-9H,4-7,10-13H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-2-amine?
N,N-dimethyl-4-[4-(2-methyl-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-dimethyl-4-[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 133461061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).