N-hydrazinyl-N-[(6-piperidin-1-ylpyrimidin-4-yl)amino]-6-pyrrolidin-1-ylpyrimidin-4-amine

C17H26N10 — CID 90800541

IUPACN-hydrazinyl-N-[(6-piperidin-1-ylpyrimidin-4-yl)amino]-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESNNN(Nc1cc(N2CCCCC2)ncn1)c1cc(N2CCCC2)ncn1
InChIInChI=1S/C17H26N10/c18-24-27(17-11-16(21-13-22-17)26-8-4-5-9-26)23-14-10-15(20-12-19-14)25-6-2-1-3-7-25/h10-13,24H,1-9,18H2,(H,19,20,23)
InChIKeyMISQBEIVWXNNPF-UHFFFAOYSA-N
MW370.47 g/mol
LogP1.07
Rot. Bonds6

About N-hydrazinyl-N-[(6-piperidin-1-ylpyrimidin-4-yl)amino]-6-pyrrolidin-1-ylpyrimidin-4-amine

N-hydrazinyl-N-[(6-piperidin-1-ylpyrimidin-4-yl)amino]-6-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 90800541) has the molecular formula C17H26N10 and a molecular weight of 370.47 g/mol. Its IUPAC name is N-hydrazinyl-N-[(6-piperidin-1-ylpyrimidin-4-yl)amino]-6-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-hydrazinyl-N-[(6-piperidin-1-ylpyrimidin-4-yl)amino]-6-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID90800541
Molecular FormulaC17H26N10
Molecular Weight370.47 g/mol
Exact Mass370.23
IUPAC NameN-hydrazinyl-N-[(6-piperidin-1-ylpyrimidin-4-yl)amino]-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESNNN(Nc1cc(N2CCCCC2)ncn1)c1cc(N2CCCC2)ncn1
InChIInChI=1S/C17H26N10/c18-24-27(17-11-16(21-13-22-17)26-8-4-5-9-26)23-14-10-15(20-12-19-14)25-6-2-1-3-7-25/h10-13,24H,1-9,18H2,(H,19,20,23)
InChIKeyMISQBEIVWXNNPF-UHFFFAOYSA-N
XLogP1.07
TPSA111.36 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydrazinyl-N-[(6-piperidin-1-ylpyrimidin-4-yl)amino]-6-pyrrolidin-1-ylpyrimidin-4-amine with MolForge

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Related Compounds

[6-(azepan-1-yl)pyrimidin-4-yl]hydrazine
CID 80927859
1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 112856077
6-piperidin-1-yl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112856096
N,N-dipropyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855707
N-(6-piperidin-1-ylpyrimidin-4-yl)cyclopentanecarboxamide
CID 90544433
4-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1,2-oxazolidin-3-one
CID 122282464
N-[[(2S)-oxolan-2-yl]methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 138033732
1-[methyl-(6-piperidin-1-ylpyrimidin-4-yl)amino]propan-2-ol
CID 86818325
trans-(1S,2S)-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 133495426
N-[(4-chlorophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 112856024
4-N,4-N-dimethyl-1-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine
CID 112855770
N-(6-piperidin-1-ylpyrimidin-4-yl)pyrimidine-2-carboxamide
CID 90544711

Frequently Asked Questions

What is the IUPAC name of N-hydrazinyl-N-[(6-piperidin-1-ylpyrimidin-4-yl)amino]-6-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-hydrazinyl-N-[(6-piperidin-1-ylpyrimidin-4-yl)amino]-6-pyrrolidin-1-ylpyrimidin-4-amine (CID 90800541) is N-hydrazinyl-N-[(6-piperidin-1-ylpyrimidin-4-yl)amino]-6-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-hydrazinyl-N-[(6-piperidin-1-ylpyrimidin-4-yl)amino]-6-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-hydrazinyl-N-[(6-piperidin-1-ylpyrimidin-4-yl)amino]-6-pyrrolidin-1-ylpyrimidin-4-amine is NNN(Nc1cc(N2CCCCC2)ncn1)c1cc(N2CCCC2)ncn1.
What is the InChIKey of N-hydrazinyl-N-[(6-piperidin-1-ylpyrimidin-4-yl)amino]-6-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is MISQBEIVWXNNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N10/c18-24-27(17-11-16(21-13-22-17)26-8-4-5-9-26)23-14-10-15(20-12-19-14)25-6-2-1-3-7-25/h10-13,24H,1-9,18H2,(H,19,20,23).
What are the key properties of N-hydrazinyl-N-[(6-piperidin-1-ylpyrimidin-4-yl)amino]-6-pyrrolidin-1-ylpyrimidin-4-amine?
N-hydrazinyl-N-[(6-piperidin-1-ylpyrimidin-4-yl)amino]-6-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 370.47 g/mol, XLogP of 1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydrazinyl-N-[(6-piperidin-1-ylpyrimidin-4-yl)amino]-6-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 90800541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).