N-[(E)-furan-2-ylmethylideneamino]-6-piperidin-1-ylpyrimidin-4-amine

C14H17N5O — CID 5332817

IUPACN-[(E)-furan-2-ylmethylideneamino]-6-piperidin-1-ylpyrimidin-4-amine
SMILESC(=N/Nc1cc(N2CCCCC2)ncn1)\c1ccco1
InChIInChI=1S/C14H17N5O/c1-2-6-19(7-3-1)14-9-13(15-11-16-14)18-17-10-12-5-4-8-20-12/h4-5,8-11H,1-3,6-7H2,(H,15,16,18)/b17-10+
InChIKeyCVKGJUIGFMCKBY-LICLKQGHSA-N
MW271.32 g/mol
LogP2.51
Rot. Bonds4

About N-[(E)-furan-2-ylmethylideneamino]-6-piperidin-1-ylpyrimidin-4-amine

N-[(E)-furan-2-ylmethylideneamino]-6-piperidin-1-ylpyrimidin-4-amine (PubChem CID 5332817) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[(E)-furan-2-ylmethylideneamino]-6-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(E)-furan-2-ylmethylideneamino]-6-piperidin-1-ylpyrimidin-4-amine
PubChem CID5332817
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC NameN-[(E)-furan-2-ylmethylideneamino]-6-piperidin-1-ylpyrimidin-4-amine
SMILESC(=N/Nc1cc(N2CCCCC2)ncn1)\c1ccco1
InChIInChI=1S/C14H17N5O/c1-2-6-19(7-3-1)14-9-13(15-11-16-14)18-17-10-12-5-4-8-20-12/h4-5,8-11H,1-3,6-7H2,(H,15,16,18)/b17-10+
InChIKeyCVKGJUIGFMCKBY-LICLKQGHSA-N
XLogP2.51
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-furan-2-ylmethylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine
CID 5340113
N-(benzylideneamino)-6-morpholin-4-ylpyrimidin-4-amine
CID 3091834
[6-(azepan-1-yl)pyrimidin-4-yl]hydrazine
CID 80927859
1-N-phenyl-4-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine
CID 122282330
1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 112856077
4-N-(4-fluorophenyl)-2-N-[(Z)-furan-2-ylmethylideneamino]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 126467803
[4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112855130
2-methoxy-6-[[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 2842064
5-(furan-2-yl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1,2-oxazole-3-carboxamide
CID 90544944
N-[[4-(diethylamino)phenyl]methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine
CID 3091826
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133297513
N-[(3-bromophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133304157

Frequently Asked Questions

What is the IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-6-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-6-piperidin-1-ylpyrimidin-4-amine (CID 5332817) is N-[(E)-furan-2-ylmethylideneamino]-6-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(E)-furan-2-ylmethylideneamino]-6-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[(E)-furan-2-ylmethylideneamino]-6-piperidin-1-ylpyrimidin-4-amine is C(=N/Nc1cc(N2CCCCC2)ncn1)\c1ccco1.
What is the InChIKey of N-[(E)-furan-2-ylmethylideneamino]-6-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is CVKGJUIGFMCKBY-LICLKQGHSA-N. The full InChI is InChI=1S/C14H17N5O/c1-2-6-19(7-3-1)14-9-13(15-11-16-14)18-17-10-12-5-4-8-20-12/h4-5,8-11H,1-3,6-7H2,(H,15,16,18)/b17-10+.
What are the key properties of N-[(E)-furan-2-ylmethylideneamino]-6-piperidin-1-ylpyrimidin-4-amine?
N-[(E)-furan-2-ylmethylideneamino]-6-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 271.32 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-furan-2-ylmethylideneamino]-6-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 5332817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).