5-methyl-4-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrimidin-2-amine

C13H22N6 — CID 97115379

IUPAC5-methyl-4-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrimidin-2-amine
SMILESCc1cnc(N)nc1N1CCN([C@H]2CCNC2)CC1
InChIInChI=1S/C13H22N6/c1-10-8-16-13(14)17-12(10)19-6-4-18(5-7-19)11-2-3-15-9-11/h8,11,15H,2-7,9H2,1H3,(H2,14,16,17)/t11-/m0/s1
InChIKeyIKEDGMHTEWUWKY-NSHDSACASA-N
MW262.36 g/mol
LogP-0.15
Rot. Bonds2

About 5-methyl-4-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrimidin-2-amine

5-methyl-4-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrimidin-2-amine (PubChem CID 97115379) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-methyl-4-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-4-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrimidin-2-amine
PubChem CID97115379
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name5-methyl-4-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrimidin-2-amine
SMILESCc1cnc(N)nc1N1CCN([C@H]2CCNC2)CC1
InChIInChI=1S/C13H22N6/c1-10-8-16-13(14)17-12(10)19-6-4-18(5-7-19)11-2-3-15-9-11/h8,11,15H,2-7,9H2,1H3,(H2,14,16,17)/t11-/m0/s1
InChIKeyIKEDGMHTEWUWKY-NSHDSACASA-N
XLogP-0.15
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of 5-methyl-4-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrimidin-2-amine (CID 97115379) is 5-methyl-4-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-4-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 5-methyl-4-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrimidin-2-amine is Cc1cnc(N)nc1N1CCN([C@H]2CCNC2)CC1.
What is the InChIKey of 5-methyl-4-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is IKEDGMHTEWUWKY-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N6/c1-10-8-16-13(14)17-12(10)19-6-4-18(5-7-19)11-2-3-15-9-11/h8,11,15H,2-7,9H2,1H3,(H2,14,16,17)/t11-/m0/s1.
What are the key properties of 5-methyl-4-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrimidin-2-amine?
5-methyl-4-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 262.36 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 97115379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).