N-cyclopropyl-N-(furan-2-ylmethyl)-1-pyrimidin-4-ylethane-1,2-diamine

C14H18N4O — CID 63986450

IUPACN-cyclopropyl-N-(furan-2-ylmethyl)-1-pyrimidin-4-ylethane-1,2-diamine
SMILESNCC(c1ccncn1)N(Cc1ccco1)C1CC1
InChIInChI=1S/C14H18N4O/c15-8-14(13-5-6-16-10-17-13)18(11-3-4-11)9-12-2-1-7-19-12/h1-2,5-7,10-11,14H,3-4,8-9,15H2
InChIKeyQPKCNALWJMWRSR-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.73
Rot. Bonds6

About N-cyclopropyl-N-(furan-2-ylmethyl)-1-pyrimidin-4-ylethane-1,2-diamine

N-cyclopropyl-N-(furan-2-ylmethyl)-1-pyrimidin-4-ylethane-1,2-diamine (PubChem CID 63986450) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-cyclopropyl-N-(furan-2-ylmethyl)-1-pyrimidin-4-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N-(furan-2-ylmethyl)-1-pyrimidin-4-ylethane-1,2-diamine
PubChem CID63986450
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-cyclopropyl-N-(furan-2-ylmethyl)-1-pyrimidin-4-ylethane-1,2-diamine
SMILESNCC(c1ccncn1)N(Cc1ccco1)C1CC1
InChIInChI=1S/C14H18N4O/c15-8-14(13-5-6-16-10-17-13)18(11-3-4-11)9-12-2-1-7-19-12/h1-2,5-7,10-11,14H,3-4,8-9,15H2
InChIKeyQPKCNALWJMWRSR-UHFFFAOYSA-N
XLogP1.73
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-(furan-2-ylmethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
CID 66117308
N-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 103569541
N-methyl-N-(4-methylcyclohexyl)-1-pyrimidin-4-ylethane-1,2-diamine
CID 63985221
2-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylbutanoic acid
CID 55003590
2-(furan-2-yl)-N-methyl-1-pyrimidin-4-ylethanamine
CID 83175333
4-[cyclopropyl(furan-2-ylmethyl)amino]pyridine-2-carbothioamide
CID 62927141
N'-cyclopropyl-N'-(furan-2-ylmethyl)-2-methoxybutane-1,4-diamine
CID 103152377
8-N-cyclopropyl-8-N-(furan-2-ylmethyl)isoquinoline-5,8-diamine
CID 103137838
N-methyl-N-(pyridin-3-ylmethyl)-1-pyrimidin-4-ylethane-1,2-diamine
CID 63986235
2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-1-N-prop-2-enylpropane-1,2-diamine
CID 55087669
N-(furan-2-ylmethyl)-N-[(6-hydrazinyl-3-pyridinyl)methyl]cyclopropanamine
CID 62245161
2-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)pyrimidin-4-amine
CID 62343468

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(furan-2-ylmethyl)-1-pyrimidin-4-ylethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-N-(furan-2-ylmethyl)-1-pyrimidin-4-ylethane-1,2-diamine (CID 63986450) is N-cyclopropyl-N-(furan-2-ylmethyl)-1-pyrimidin-4-ylethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-N-(furan-2-ylmethyl)-1-pyrimidin-4-ylethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-N-(furan-2-ylmethyl)-1-pyrimidin-4-ylethane-1,2-diamine is NCC(c1ccncn1)N(Cc1ccco1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(furan-2-ylmethyl)-1-pyrimidin-4-ylethane-1,2-diamine?
The InChIKey is QPKCNALWJMWRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-8-14(13-5-6-16-10-17-13)18(11-3-4-11)9-12-2-1-7-19-12/h1-2,5-7,10-11,14H,3-4,8-9,15H2.
What are the key properties of N-cyclopropyl-N-(furan-2-ylmethyl)-1-pyrimidin-4-ylethane-1,2-diamine?
N-cyclopropyl-N-(furan-2-ylmethyl)-1-pyrimidin-4-ylethane-1,2-diamine has a molecular weight of 258.32 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(furan-2-ylmethyl)-1-pyrimidin-4-ylethane-1,2-diamine is sourced from PubChem (CID 63986450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).