N'-[5-amino-6-[bis(2-methylpropyl)amino]pyrimidin-4-yl]furan-2-carbohydrazide

C17H26N6O2 — CID 19141013

IUPACN'-[5-amino-6-[bis(2-methylpropyl)amino]pyrimidin-4-yl]furan-2-carbohydrazide
SMILESCC(C)CN(CC(C)C)c1ncnc(NNC(=O)c2ccco2)c1N
InChIInChI=1S/C17H26N6O2/c1-11(2)8-23(9-12(3)4)16-14(18)15(19-10-20-16)21-22-17(24)13-6-5-7-25-13/h5-7,10-12H,8-9,18H2,1-4H3,(H,22,24)(H,19,20,21)
InChIKeyQHMFFKLQJIYAPV-UHFFFAOYSA-N
MW346.44 g/mol
LogP2.53
Rot. Bonds8

About N'-[5-amino-6-[bis(2-methylpropyl)amino]pyrimidin-4-yl]furan-2-carbohydrazide

N'-[5-amino-6-[bis(2-methylpropyl)amino]pyrimidin-4-yl]furan-2-carbohydrazide (PubChem CID 19141013) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is N'-[5-amino-6-[bis(2-methylpropyl)amino]pyrimidin-4-yl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-[bis(2-methylpropyl)amino]pyrimidin-4-yl]furan-2-carbohydrazide
PubChem CID19141013
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC NameN'-[5-amino-6-[bis(2-methylpropyl)amino]pyrimidin-4-yl]furan-2-carbohydrazide
SMILESCC(C)CN(CC(C)C)c1ncnc(NNC(=O)c2ccco2)c1N
InChIInChI=1S/C17H26N6O2/c1-11(2)8-23(9-12(3)4)16-14(18)15(19-10-20-16)21-22-17(24)13-6-5-7-25-13/h5-7,10-12H,8-9,18H2,1-4H3,(H,22,24)(H,19,20,21)
InChIKeyQHMFFKLQJIYAPV-UHFFFAOYSA-N
XLogP2.53
TPSA109.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-amino-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide
CID 19152033
N'-[5-amino-6-(propylamino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19135482
N'-[5-amino-6-(benzhydrylamino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19150190
N'-[5-amino-6-(2,3-dimethylanilino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19143204
N'-[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19144226
6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19134997
ethyl 2-[[5-amino-6-[2-(furan-2-carbonyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate
CID 19152080
N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19146753
N'-[5-amino-6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]furan-2-carbohydrazide
CID 19147119
N'-[5-amino-6-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19143794
ethyl 3-[[5-amino-6-[2-(furan-2-carbonyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate
CID 19152054
N'-[5-amino-6-(dibenzylamino)pyrimidin-4-yl]-4-bromobenzohydrazide
CID 19136425

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-[bis(2-methylpropyl)amino]pyrimidin-4-yl]furan-2-carbohydrazide?
The IUPAC name of N'-[5-amino-6-[bis(2-methylpropyl)amino]pyrimidin-4-yl]furan-2-carbohydrazide (CID 19141013) is N'-[5-amino-6-[bis(2-methylpropyl)amino]pyrimidin-4-yl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[5-amino-6-[bis(2-methylpropyl)amino]pyrimidin-4-yl]furan-2-carbohydrazide?
The canonical SMILES for N'-[5-amino-6-[bis(2-methylpropyl)amino]pyrimidin-4-yl]furan-2-carbohydrazide is CC(C)CN(CC(C)C)c1ncnc(NNC(=O)c2ccco2)c1N.
What is the InChIKey of N'-[5-amino-6-[bis(2-methylpropyl)amino]pyrimidin-4-yl]furan-2-carbohydrazide?
The InChIKey is QHMFFKLQJIYAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-11(2)8-23(9-12(3)4)16-14(18)15(19-10-20-16)21-22-17(24)13-6-5-7-25-13/h5-7,10-12H,8-9,18H2,1-4H3,(H,22,24)(H,19,20,21).
What are the key properties of N'-[5-amino-6-[bis(2-methylpropyl)amino]pyrimidin-4-yl]furan-2-carbohydrazide?
N'-[5-amino-6-[bis(2-methylpropyl)amino]pyrimidin-4-yl]furan-2-carbohydrazide has a molecular weight of 346.44 g/mol, XLogP of 2.53, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-[bis(2-methylpropyl)amino]pyrimidin-4-yl]furan-2-carbohydrazide is sourced from PubChem (CID 19141013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).