N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]pyrimidin-4-amine

C13H23N5 — CID 97120157

IUPACN-[(3R)-3-(4-methylpiperazin-1-yl)butyl]pyrimidin-4-amine
SMILESC[C@H](CCNc1ccncn1)N1CCN(C)CC1
InChIInChI=1S/C13H23N5/c1-12(18-9-7-17(2)8-10-18)3-6-15-13-4-5-14-11-16-13/h4-5,11-12H,3,6-10H2,1-2H3,(H,14,15,16)/t12-/m1/s1
InChIKeyBLNTYAGGTVFMRO-GFCCVEGCSA-N
MW249.36 g/mol
LogP0.91
Rot. Bonds5

About N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]pyrimidin-4-amine

N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]pyrimidin-4-amine (PubChem CID 97120157) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3R)-3-(4-methylpiperazin-1-yl)butyl]pyrimidin-4-amine
PubChem CID97120157
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC NameN-[(3R)-3-(4-methylpiperazin-1-yl)butyl]pyrimidin-4-amine
SMILESC[C@H](CCNc1ccncn1)N1CCN(C)CC1
InChIInChI=1S/C13H23N5/c1-12(18-9-7-17(2)8-10-18)3-6-15-13-4-5-14-11-16-13/h4-5,11-12H,3,6-10H2,1-2H3,(H,14,15,16)/t12-/m1/s1
InChIKeyBLNTYAGGTVFMRO-GFCCVEGCSA-N
XLogP0.91
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]pyrimidin-4-amine?
The IUPAC name of N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]pyrimidin-4-amine (CID 97120157) is N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]pyrimidin-4-amine.
What is the SMILES notation for N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]pyrimidin-4-amine?
The canonical SMILES for N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]pyrimidin-4-amine is C[C@H](CCNc1ccncn1)N1CCN(C)CC1.
What is the InChIKey of N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]pyrimidin-4-amine?
The InChIKey is BLNTYAGGTVFMRO-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H23N5/c1-12(18-9-7-17(2)8-10-18)3-6-15-13-4-5-14-11-16-13/h4-5,11-12H,3,6-10H2,1-2H3,(H,14,15,16)/t12-/m1/s1.
What are the key properties of N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]pyrimidin-4-amine?
N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]pyrimidin-4-amine has a molecular weight of 249.36 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]pyrimidin-4-amine is sourced from PubChem (CID 97120157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).