N,N-dimethyl-6-[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]pyrimidin-4-amine

C18H25N5 — CID 98859123

IUPACN,N-dimethyl-6-[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
SMILESCc1ccccc1N1CCN(c2cc(N(C)C)ncn2)[C@@H](C)C1
InChIInChI=1S/C18H25N5/c1-14-7-5-6-8-16(14)22-9-10-23(15(2)12-22)18-11-17(21(3)4)19-13-20-18/h5-8,11,13,15H,9-10,12H2,1-4H3/t15-/m0/s1
InChIKeyGXRCNEVTISUTLG-HNNXBMFYSA-N
MW311.43 g/mol
LogP2.57
Rot. Bonds3

About N,N-dimethyl-6-[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]pyrimidin-4-amine

N,N-dimethyl-6-[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]pyrimidin-4-amine (PubChem CID 98859123) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is N,N-dimethyl-6-[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
PubChem CID98859123
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC NameN,N-dimethyl-6-[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
SMILESCc1ccccc1N1CCN(c2cc(N(C)C)ncn2)[C@@H](C)C1
InChIInChI=1S/C18H25N5/c1-14-7-5-6-8-16(14)22-9-10-23(15(2)12-22)18-11-17(21(3)4)19-13-20-18/h5-8,11,13,15H,9-10,12H2,1-4H3/t15-/m0/s1
InChIKeyGXRCNEVTISUTLG-HNNXBMFYSA-N
XLogP2.57
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-6-[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]pyrimidin-4-amine (CID 98859123) is N,N-dimethyl-6-[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-6-[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-6-[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]pyrimidin-4-amine is Cc1ccccc1N1CCN(c2cc(N(C)C)ncn2)[C@@H](C)C1.
What is the InChIKey of N,N-dimethyl-6-[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is GXRCNEVTISUTLG-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25N5/c1-14-7-5-6-8-16(14)22-9-10-23(15(2)12-22)18-11-17(21(3)4)19-13-20-18/h5-8,11,13,15H,9-10,12H2,1-4H3/t15-/m0/s1.
What are the key properties of N,N-dimethyl-6-[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]pyrimidin-4-amine?
N,N-dimethyl-6-[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 311.43 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 98859123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).