[6-(3,4-dihydro-2H-chromen-6-ylamino)pyrimidin-4-yl]cyanamide

C14H13N5O — CID 115264512

IUPAC[6-(3,4-dihydro-2H-chromen-6-ylamino)pyrimidin-4-yl]cyanamide
SMILESN#CNc1cc(Nc2ccc3c(c2)CCCO3)ncn1
InChIInChI=1S/C14H13N5O/c15-8-16-13-7-14(18-9-17-13)19-11-3-4-12-10(6-11)2-1-5-20-12/h3-4,6-7,9H,1-2,5H2,(H2,16,17,18,19)
InChIKeyMNMQUIMPZAKJBL-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.44
Rot. Bonds3

About [6-(3,4-dihydro-2H-chromen-6-ylamino)pyrimidin-4-yl]cyanamide

[6-(3,4-dihydro-2H-chromen-6-ylamino)pyrimidin-4-yl]cyanamide (PubChem CID 115264512) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is [6-(3,4-dihydro-2H-chromen-6-ylamino)pyrimidin-4-yl]cyanamide.

Molecular Properties

Compound Name[6-(3,4-dihydro-2H-chromen-6-ylamino)pyrimidin-4-yl]cyanamide
PubChem CID115264512
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name[6-(3,4-dihydro-2H-chromen-6-ylamino)pyrimidin-4-yl]cyanamide
SMILESN#CNc1cc(Nc2ccc3c(c2)CCCO3)ncn1
InChIInChI=1S/C14H13N5O/c15-8-16-13-7-14(18-9-17-13)19-11-3-4-12-10(6-11)2-1-5-20-12/h3-4,6-7,9H,1-2,5H2,(H2,16,17,18,19)
InChIKeyMNMQUIMPZAKJBL-UHFFFAOYSA-N
XLogP2.44
TPSA82.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dihydro-2H-chromen-6-ylamino)-2-methylpropanenitrile
CID 115129022
2-N-(3,4-dihydro-2H-chromen-6-yl)benzene-1,2-diamine
CID 115124297
6-(2,3-dihydro-1-benzofuran-5-ylamino)-2-methylpyrimidine-4-carbonitrile
CID 115143207
4-N-cyclopropyl-6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4,6-diamine
CID 112854840
N-(3,4-dihydro-2H-chromen-6-yl)carbamoyl bromide
CID 115193294
6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112865521
1-[4-[[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112866685
N-(2-methylpropyl)-3,4-dihydro-2H-chromen-6-amine
CID 115876909
4-N-butan-2-yl-6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4,6-diamine
CID 112855607
N-(3,4-dihydro-2H-chromen-6-yl)pyridine-4-carboxamide
CID 110726182
6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
N-(3,4-dihydro-2H-chromen-6-yl)-2-sulfanylacetamide
CID 115166948

Frequently Asked Questions

What is the IUPAC name of [6-(3,4-dihydro-2H-chromen-6-ylamino)pyrimidin-4-yl]cyanamide?
The IUPAC name of [6-(3,4-dihydro-2H-chromen-6-ylamino)pyrimidin-4-yl]cyanamide (CID 115264512) is [6-(3,4-dihydro-2H-chromen-6-ylamino)pyrimidin-4-yl]cyanamide.
What is the SMILES notation for [6-(3,4-dihydro-2H-chromen-6-ylamino)pyrimidin-4-yl]cyanamide?
The canonical SMILES for [6-(3,4-dihydro-2H-chromen-6-ylamino)pyrimidin-4-yl]cyanamide is N#CNc1cc(Nc2ccc3c(c2)CCCO3)ncn1.
What is the InChIKey of [6-(3,4-dihydro-2H-chromen-6-ylamino)pyrimidin-4-yl]cyanamide?
The InChIKey is MNMQUIMPZAKJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c15-8-16-13-7-14(18-9-17-13)19-11-3-4-12-10(6-11)2-1-5-20-12/h3-4,6-7,9H,1-2,5H2,(H2,16,17,18,19).
What are the key properties of [6-(3,4-dihydro-2H-chromen-6-ylamino)pyrimidin-4-yl]cyanamide?
[6-(3,4-dihydro-2H-chromen-6-ylamino)pyrimidin-4-yl]cyanamide has a molecular weight of 267.29 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,4-dihydro-2H-chromen-6-ylamino)pyrimidin-4-yl]cyanamide is sourced from PubChem (CID 115264512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).