N,N-diethyl-2-piperazin-1-yl-6-pyrrolidin-1-yl-1H-pyrimidin-2-amine

C16H30N6 — CID 22418734

IUPACN,N-diethyl-2-piperazin-1-yl-6-pyrrolidin-1-yl-1H-pyrimidin-2-amine
SMILESCCN(CC)C1(N2CCNCC2)N=CC=C(N2CCCC2)N1
InChIInChI=1S/C16H30N6/c1-3-21(4-2)16(22-13-9-17-10-14-22)18-8-7-15(19-16)20-11-5-6-12-20/h7-8,17,19H,3-6,9-14H2,1-2H3
InChIKeyFLSWVPBBLQQOGJ-UHFFFAOYSA-N
MW306.46 g/mol
LogP0.46
Rot. Bonds5

About N,N-diethyl-2-piperazin-1-yl-6-pyrrolidin-1-yl-1H-pyrimidin-2-amine

N,N-diethyl-2-piperazin-1-yl-6-pyrrolidin-1-yl-1H-pyrimidin-2-amine (PubChem CID 22418734) has the molecular formula C16H30N6 and a molecular weight of 306.46 g/mol. Its IUPAC name is N,N-diethyl-2-piperazin-1-yl-6-pyrrolidin-1-yl-1H-pyrimidin-2-amine.

Molecular Properties

Compound NameN,N-diethyl-2-piperazin-1-yl-6-pyrrolidin-1-yl-1H-pyrimidin-2-amine
PubChem CID22418734
Molecular FormulaC16H30N6
Molecular Weight306.46 g/mol
Exact Mass306.25
IUPAC NameN,N-diethyl-2-piperazin-1-yl-6-pyrrolidin-1-yl-1H-pyrimidin-2-amine
SMILESCCN(CC)C1(N2CCNCC2)N=CC=C(N2CCCC2)N1
InChIInChI=1S/C16H30N6/c1-3-21(4-2)16(22-13-9-17-10-14-22)18-8-7-15(19-16)20-11-5-6-12-20/h7-8,17,19H,3-6,9-14H2,1-2H3
InChIKeyFLSWVPBBLQQOGJ-UHFFFAOYSA-N
XLogP0.46
TPSA46.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-piperazin-1-yl-6-pyrrolidin-1-yl-1H-pyrimidin-2-amine?
The IUPAC name of N,N-diethyl-2-piperazin-1-yl-6-pyrrolidin-1-yl-1H-pyrimidin-2-amine (CID 22418734) is N,N-diethyl-2-piperazin-1-yl-6-pyrrolidin-1-yl-1H-pyrimidin-2-amine.
What is the SMILES notation for N,N-diethyl-2-piperazin-1-yl-6-pyrrolidin-1-yl-1H-pyrimidin-2-amine?
The canonical SMILES for N,N-diethyl-2-piperazin-1-yl-6-pyrrolidin-1-yl-1H-pyrimidin-2-amine is CCN(CC)C1(N2CCNCC2)N=CC=C(N2CCCC2)N1.
What is the InChIKey of N,N-diethyl-2-piperazin-1-yl-6-pyrrolidin-1-yl-1H-pyrimidin-2-amine?
The InChIKey is FLSWVPBBLQQOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N6/c1-3-21(4-2)16(22-13-9-17-10-14-22)18-8-7-15(19-16)20-11-5-6-12-20/h7-8,17,19H,3-6,9-14H2,1-2H3.
What are the key properties of N,N-diethyl-2-piperazin-1-yl-6-pyrrolidin-1-yl-1H-pyrimidin-2-amine?
N,N-diethyl-2-piperazin-1-yl-6-pyrrolidin-1-yl-1H-pyrimidin-2-amine has a molecular weight of 306.46 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-piperazin-1-yl-6-pyrrolidin-1-yl-1H-pyrimidin-2-amine is sourced from PubChem (CID 22418734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).