N-tert-butyl-6-piperazin-1-yl-2-pyrrolidin-1-ylpyrimidin-4-amine

C16H28N6 — CID 19428533

IUPACN-tert-butyl-6-piperazin-1-yl-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCC(C)(C)Nc1cc(N2CCNCC2)nc(N2CCCC2)n1
InChIInChI=1S/C16H28N6/c1-16(2,3)20-13-12-14(21-10-6-17-7-11-21)19-15(18-13)22-8-4-5-9-22/h12,17H,4-11H2,1-3H3,(H,18,19,20)
InChIKeyOOSKUUINKYZPRJ-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.70
Rot. Bonds3

About N-tert-butyl-6-piperazin-1-yl-2-pyrrolidin-1-ylpyrimidin-4-amine

N-tert-butyl-6-piperazin-1-yl-2-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 19428533) has the molecular formula C16H28N6 and a molecular weight of 304.44 g/mol. Its IUPAC name is N-tert-butyl-6-piperazin-1-yl-2-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-6-piperazin-1-yl-2-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID19428533
Molecular FormulaC16H28N6
Molecular Weight304.44 g/mol
Exact Mass304.24
IUPAC NameN-tert-butyl-6-piperazin-1-yl-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCC(C)(C)Nc1cc(N2CCNCC2)nc(N2CCCC2)n1
InChIInChI=1S/C16H28N6/c1-16(2,3)20-13-12-14(21-10-6-17-7-11-21)19-15(18-13)22-8-4-5-9-22/h12,17H,4-11H2,1-3H3,(H,18,19,20)
InChIKeyOOSKUUINKYZPRJ-UHFFFAOYSA-N
XLogP1.70
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-tert-butyl-6-chloro-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 19428532
6-piperazin-1-yl-2-piperidin-1-ylpyrimidin-4-amine
CID 67718296
4-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2,6-dipyrrolidin-1-ylpyrimidine
CID 57355688
N-(6-piperazin-1-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine
CID 166460153
N-tert-butyl-2-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112875572
2-piperazin-1-yl-4,6-di(piperidin-1-yl)-1,3,5-triazine
CID 655485
4-methyl-6-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpyrimidine
CID 99980092
N-tert-butyl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 974630
4-piperazin-1-yl-2-piperidin-1-ylpyrimidine
CID 83724540
N'-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)pentane-1,5-diamine
CID 67534033
4-(2-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
CID 67897493
N'-[2-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-N'-methylethane-1,2-diamine
CID 67529044

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-piperazin-1-yl-2-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-tert-butyl-6-piperazin-1-yl-2-pyrrolidin-1-ylpyrimidin-4-amine (CID 19428533) is N-tert-butyl-6-piperazin-1-yl-2-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-tert-butyl-6-piperazin-1-yl-2-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-tert-butyl-6-piperazin-1-yl-2-pyrrolidin-1-ylpyrimidin-4-amine is CC(C)(C)Nc1cc(N2CCNCC2)nc(N2CCCC2)n1.
What is the InChIKey of N-tert-butyl-6-piperazin-1-yl-2-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is OOSKUUINKYZPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6/c1-16(2,3)20-13-12-14(21-10-6-17-7-11-21)19-15(18-13)22-8-4-5-9-22/h12,17H,4-11H2,1-3H3,(H,18,19,20).
What are the key properties of N-tert-butyl-6-piperazin-1-yl-2-pyrrolidin-1-ylpyrimidin-4-amine?
N-tert-butyl-6-piperazin-1-yl-2-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 304.44 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-piperazin-1-yl-2-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 19428533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).