N-(5-aminopentyl)-N-[4-[4-amino-6-(1-propan-2-ylpiperidin-4-yl)oxy-5-prop-1-en-2-ylpyrimidin-2-yl]phenyl]hydroxylamine

C26H40N6O2 — CID 164581088

IUPACN-(5-aminopentyl)-N-[4-[4-amino-6-(1-propan-2-ylpiperidin-4-yl)oxy-5-prop-1-en-2-ylpyrimidin-2-yl]phenyl]hydroxylamine
SMILESC=C(C)c1c(N)nc(-c2ccc(N(O)CCCCCN)cc2)nc1OC1CCN(C(C)C)CC1
InChIInChI=1S/C26H40N6O2/c1-18(2)23-24(28)29-25(30-26(23)34-22-12-16-31(17-13-22)19(3)4)20-8-10-21(11-9-20)32(33)15-7-5-6-14-27/h8-11,19,22,33H,1,5-7,12-17,27H2,2-4H3,(H2,28,29,30)
InChIKeyWFKMXKUCBQZTAF-UHFFFAOYSA-N
MW468.65 g/mol
LogP4.34
Rot. Bonds11

About N-(5-aminopentyl)-N-[4-[4-amino-6-(1-propan-2-ylpiperidin-4-yl)oxy-5-prop-1-en-2-ylpyrimidin-2-yl]phenyl]hydroxylamine

N-(5-aminopentyl)-N-[4-[4-amino-6-(1-propan-2-ylpiperidin-4-yl)oxy-5-prop-1-en-2-ylpyrimidin-2-yl]phenyl]hydroxylamine (PubChem CID 164581088) has the molecular formula C26H40N6O2 and a molecular weight of 468.65 g/mol. Its IUPAC name is N-(5-aminopentyl)-N-[4-[4-amino-6-(1-propan-2-ylpiperidin-4-yl)oxy-5-prop-1-en-2-ylpyrimidin-2-yl]phenyl]hydroxylamine.

Molecular Properties

Compound NameN-(5-aminopentyl)-N-[4-[4-amino-6-(1-propan-2-ylpiperidin-4-yl)oxy-5-prop-1-en-2-ylpyrimidin-2-yl]phenyl]hydroxylamine
PubChem CID164581088
Molecular FormulaC26H40N6O2
Molecular Weight468.65 g/mol
Exact Mass468.32
IUPAC NameN-(5-aminopentyl)-N-[4-[4-amino-6-(1-propan-2-ylpiperidin-4-yl)oxy-5-prop-1-en-2-ylpyrimidin-2-yl]phenyl]hydroxylamine
SMILESC=C(C)c1c(N)nc(-c2ccc(N(O)CCCCCN)cc2)nc1OC1CCN(C(C)C)CC1
InChIInChI=1S/C26H40N6O2/c1-18(2)23-24(28)29-25(30-26(23)34-22-12-16-31(17-13-22)19(3)4)20-8-10-21(11-9-20)32(33)15-7-5-6-14-27/h8-11,19,22,33H,1,5-7,12-17,27H2,2-4H3,(H2,28,29,30)
InChIKeyWFKMXKUCBQZTAF-UHFFFAOYSA-N
XLogP4.34
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.65
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-(5-aminopentyl)-N-[4-[4-amino-6-(1-propan-2-ylpiperidin-4-yl)oxy-5-prop-1-en-2-ylpyrimidin-2-yl]phenyl]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-N-[4-[4-amino-6-(1-propan-2-ylpiperidin-4-yl)oxy-5-prop-1-en-2-ylpyrimidin-2-yl]phenyl]hydroxylamine?
The IUPAC name of N-(5-aminopentyl)-N-[4-[4-amino-6-(1-propan-2-ylpiperidin-4-yl)oxy-5-prop-1-en-2-ylpyrimidin-2-yl]phenyl]hydroxylamine (CID 164581088) is N-(5-aminopentyl)-N-[4-[4-amino-6-(1-propan-2-ylpiperidin-4-yl)oxy-5-prop-1-en-2-ylpyrimidin-2-yl]phenyl]hydroxylamine.
What is the SMILES notation for N-(5-aminopentyl)-N-[4-[4-amino-6-(1-propan-2-ylpiperidin-4-yl)oxy-5-prop-1-en-2-ylpyrimidin-2-yl]phenyl]hydroxylamine?
The canonical SMILES for N-(5-aminopentyl)-N-[4-[4-amino-6-(1-propan-2-ylpiperidin-4-yl)oxy-5-prop-1-en-2-ylpyrimidin-2-yl]phenyl]hydroxylamine is C=C(C)c1c(N)nc(-c2ccc(N(O)CCCCCN)cc2)nc1OC1CCN(C(C)C)CC1.
What is the InChIKey of N-(5-aminopentyl)-N-[4-[4-amino-6-(1-propan-2-ylpiperidin-4-yl)oxy-5-prop-1-en-2-ylpyrimidin-2-yl]phenyl]hydroxylamine?
The InChIKey is WFKMXKUCBQZTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N6O2/c1-18(2)23-24(28)29-25(30-26(23)34-22-12-16-31(17-13-22)19(3)4)20-8-10-21(11-9-20)32(33)15-7-5-6-14-27/h8-11,19,22,33H,1,5-7,12-17,27H2,2-4H3,(H2,28,29,30).
What are the key properties of N-(5-aminopentyl)-N-[4-[4-amino-6-(1-propan-2-ylpiperidin-4-yl)oxy-5-prop-1-en-2-ylpyrimidin-2-yl]phenyl]hydroxylamine?
N-(5-aminopentyl)-N-[4-[4-amino-6-(1-propan-2-ylpiperidin-4-yl)oxy-5-prop-1-en-2-ylpyrimidin-2-yl]phenyl]hydroxylamine has a molecular weight of 468.65 g/mol, XLogP of 4.34, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-N-[4-[4-amino-6-(1-propan-2-ylpiperidin-4-yl)oxy-5-prop-1-en-2-ylpyrimidin-2-yl]phenyl]hydroxylamine is sourced from PubChem (CID 164581088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).