N,N-dimethyl-4-[(3R)-3-methylpiperazin-1-yl]pyrimidin-2-amine

C11H19N5 — CID 104976030

IUPACN,N-dimethyl-4-[(3R)-3-methylpiperazin-1-yl]pyrimidin-2-amine
SMILESC[C@@H]1CN(c2ccnc(N(C)C)n2)CCN1
InChIInChI=1S/C11H19N5/c1-9-8-16(7-6-12-9)10-4-5-13-11(14-10)15(2)3/h4-5,9,12H,6-8H2,1-3H3/t9-/m1/s1
InChIKeySKTZDOMUUXPHJW-SECBINFHSA-N
MW221.31 g/mol
LogP0.34
Rot. Bonds2

About N,N-dimethyl-4-[(3R)-3-methylpiperazin-1-yl]pyrimidin-2-amine

N,N-dimethyl-4-[(3R)-3-methylpiperazin-1-yl]pyrimidin-2-amine (PubChem CID 104976030) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is N,N-dimethyl-4-[(3R)-3-methylpiperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[(3R)-3-methylpiperazin-1-yl]pyrimidin-2-amine
PubChem CID104976030
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC NameN,N-dimethyl-4-[(3R)-3-methylpiperazin-1-yl]pyrimidin-2-amine
SMILESC[C@@H]1CN(c2ccnc(N(C)C)n2)CCN1
InChIInChI=1S/C11H19N5/c1-9-8-16(7-6-12-9)10-4-5-13-11(14-10)15(2)3/h4-5,9,12H,6-8H2,1-3H3/t9-/m1/s1
InChIKeySKTZDOMUUXPHJW-SECBINFHSA-N
XLogP0.34
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(3R)-3-methylpiperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of N,N-dimethyl-4-[(3R)-3-methylpiperazin-1-yl]pyrimidin-2-amine (CID 104976030) is N,N-dimethyl-4-[(3R)-3-methylpiperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for N,N-dimethyl-4-[(3R)-3-methylpiperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for N,N-dimethyl-4-[(3R)-3-methylpiperazin-1-yl]pyrimidin-2-amine is C[C@@H]1CN(c2ccnc(N(C)C)n2)CCN1.
What is the InChIKey of N,N-dimethyl-4-[(3R)-3-methylpiperazin-1-yl]pyrimidin-2-amine?
The InChIKey is SKTZDOMUUXPHJW-SECBINFHSA-N. The full InChI is InChI=1S/C11H19N5/c1-9-8-16(7-6-12-9)10-4-5-13-11(14-10)15(2)3/h4-5,9,12H,6-8H2,1-3H3/t9-/m1/s1.
What are the key properties of N,N-dimethyl-4-[(3R)-3-methylpiperazin-1-yl]pyrimidin-2-amine?
N,N-dimethyl-4-[(3R)-3-methylpiperazin-1-yl]pyrimidin-2-amine has a molecular weight of 221.31 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(3R)-3-methylpiperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 104976030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).