5-[(3S)-3-methylpiperazin-1-yl]-2-(2-methylpropyl)pyrimidine

C13H22N4 — CID 170612877

IUPAC5-[(3S)-3-methylpiperazin-1-yl]-2-(2-methylpropyl)pyrimidine
SMILESCC(C)Cc1ncc(N2CCN[C@@H](C)C2)cn1
InChIInChI=1S/C13H22N4/c1-10(2)6-13-15-7-12(8-16-13)17-5-4-14-11(3)9-17/h7-8,10-11,14H,4-6,9H2,1-3H3/t11-/m0/s1
InChIKeyIGDPCVHGCPOYFU-NSHDSACASA-N
MW234.35 g/mol
LogP1.47
Rot. Bonds3

About 5-[(3S)-3-methylpiperazin-1-yl]-2-(2-methylpropyl)pyrimidine

5-[(3S)-3-methylpiperazin-1-yl]-2-(2-methylpropyl)pyrimidine (PubChem CID 170612877) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 5-[(3S)-3-methylpiperazin-1-yl]-2-(2-methylpropyl)pyrimidine.

Molecular Properties

Compound Name5-[(3S)-3-methylpiperazin-1-yl]-2-(2-methylpropyl)pyrimidine
PubChem CID170612877
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name5-[(3S)-3-methylpiperazin-1-yl]-2-(2-methylpropyl)pyrimidine
SMILESCC(C)Cc1ncc(N2CCN[C@@H](C)C2)cn1
InChIInChI=1S/C13H22N4/c1-10(2)6-13-15-7-12(8-16-13)17-5-4-14-11(3)9-17/h7-8,10-11,14H,4-6,9H2,1-3H3/t11-/m0/s1
InChIKeyIGDPCVHGCPOYFU-NSHDSACASA-N
XLogP1.47
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3R)-3-methylpiperazin-1-yl]pyridin-2-amine
CID 141318309
5-[(3S)-3-methylpiperazin-1-yl]pyridine-2-carbonitrile
CID 104977608
5-methyl-2-[(3S)-3-methylpiperazin-1-yl]pyrimidine
CID 104977378
5-iodo-2-(3-methylpiperazin-1-yl)pyrimidine
CID 116648329
2-(2-methylpropyl)-5-(piperazin-1-ylmethyl)pyrimidine
CID 178104268
4-(3-methylpiperazin-1-yl)aniline
CID 23287543
1-(2-fluoro-4-pyridinyl)-3-methylpiperazine
CID 174207451
3-methyl-1-(3-propan-2-ylphenyl)piperazine
CID 20814161
2,5-dimethyl-3-[(3S)-3-methylpiperazin-1-yl]pyrazine
CID 94450675
(3S)-3-methyl-1-(5-methyl-2-pyridinyl)piperazine
CID 94450647
2,5-dimethyl-3-[(3R)-3-methylpiperazin-1-yl]pyrazine
CID 94450674
4-[(3S)-3-methylpiperazin-1-yl]-6-propan-2-yl-1H-pyridin-2-one
CID 166036192

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-methylpiperazin-1-yl]-2-(2-methylpropyl)pyrimidine?
The IUPAC name of 5-[(3S)-3-methylpiperazin-1-yl]-2-(2-methylpropyl)pyrimidine (CID 170612877) is 5-[(3S)-3-methylpiperazin-1-yl]-2-(2-methylpropyl)pyrimidine.
What is the SMILES notation for 5-[(3S)-3-methylpiperazin-1-yl]-2-(2-methylpropyl)pyrimidine?
The canonical SMILES for 5-[(3S)-3-methylpiperazin-1-yl]-2-(2-methylpropyl)pyrimidine is CC(C)Cc1ncc(N2CCN[C@@H](C)C2)cn1.
What is the InChIKey of 5-[(3S)-3-methylpiperazin-1-yl]-2-(2-methylpropyl)pyrimidine?
The InChIKey is IGDPCVHGCPOYFU-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N4/c1-10(2)6-13-15-7-12(8-16-13)17-5-4-14-11(3)9-17/h7-8,10-11,14H,4-6,9H2,1-3H3/t11-/m0/s1.
What are the key properties of 5-[(3S)-3-methylpiperazin-1-yl]-2-(2-methylpropyl)pyrimidine?
5-[(3S)-3-methylpiperazin-1-yl]-2-(2-methylpropyl)pyrimidine has a molecular weight of 234.35 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-methylpiperazin-1-yl]-2-(2-methylpropyl)pyrimidine is sourced from PubChem (CID 170612877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).