4-N-cyclopropyl-6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidine-2,4-diamine

C18H22N4O2 — CID 72899135

IUPAC4-N-cyclopropyl-6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCOc1cccc2c1OCC(Cc1cc(NC3CC3)nc(N)n1)C2
InChIInChI=1S/C18H22N4O2/c1-23-15-4-2-3-12-7-11(10-24-17(12)15)8-14-9-16(20-13-5-6-13)22-18(19)21-14/h2-4,9,11,13H,5-8,10H2,1H3,(H3,19,20,21,22)
InChIKeyBBTAKMRFQQYCSY-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.44
Rot. Bonds5

About 4-N-cyclopropyl-6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidine-2,4-diamine

4-N-cyclopropyl-6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 72899135) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidine-2,4-diamine
PubChem CID72899135
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name4-N-cyclopropyl-6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCOc1cccc2c1OCC(Cc1cc(NC3CC3)nc(N)n1)C2
InChIInChI=1S/C18H22N4O2/c1-23-15-4-2-3-12-7-11(10-24-17(12)15)8-14-9-16(20-13-5-6-13)22-18(19)21-14/h2-4,9,11,13H,5-8,10H2,1H3,(H3,19,20,21,22)
InChIKeyBBTAKMRFQQYCSY-UHFFFAOYSA-N
XLogP2.44
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-cyclopropyl-6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-methylpyridine
CID 72901612
6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine
CID 72847083
4,6-dimethoxy-2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyrimidine
CID 97198058
2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine
CID 72901870
6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-N,N-dimethylpyridazin-3-amine
CID 72853363
2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-(trifluoromethyl)pyridine
CID 72928065
3-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-pyrrolidin-1-ylpyridazine
CID 72877522
2-methoxy-5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide
CID 72885583
N-[[3-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]phenyl]methyl]propanamide
CID 97209832
2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]benzamide
CID 97286229
3-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-methylbenzamide
CID 97269613
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,6-dimethylpyridine-4-carboxamide
CID 99929986

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidine-2,4-diamine (CID 72899135) is 4-N-cyclopropyl-6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidine-2,4-diamine is COc1cccc2c1OCC(Cc1cc(NC3CC3)nc(N)n1)C2.
What is the InChIKey of 4-N-cyclopropyl-6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is BBTAKMRFQQYCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-23-15-4-2-3-12-7-11(10-24-17(12)15)8-14-9-16(20-13-5-6-13)22-18(19)21-14/h2-4,9,11,13H,5-8,10H2,1H3,(H3,19,20,21,22).
What are the key properties of 4-N-cyclopropyl-6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidine-2,4-diamine?
4-N-cyclopropyl-6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 326.40 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 72899135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).