N-cyclopropyl-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine

C11H16N4O — CID 105475959

IUPACN-cyclopropyl-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
SMILESCOc1nc(NC2CC2)nc2c1CNCC2
InChIInChI=1S/C11H16N4O/c1-16-10-8-6-12-5-4-9(8)14-11(15-10)13-7-2-3-7/h7,12H,2-6H2,1H3,(H,13,14,15)
InChIKeyBWHWBDCROJMEFC-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.71
Rot. Bonds3

About N-cyclopropyl-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine

N-cyclopropyl-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine (PubChem CID 105475959) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is N-cyclopropyl-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
PubChem CID105475959
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC NameN-cyclopropyl-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
SMILESCOc1nc(NC2CC2)nc2c1CNCC2
InChIInChI=1S/C11H16N4O/c1-16-10-8-6-12-5-4-9(8)14-11(15-10)13-7-2-3-7/h7,12H,2-6H2,1H3,(H,13,14,15)
InChIKeyBWHWBDCROJMEFC-UHFFFAOYSA-N
XLogP0.71
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-4-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
CID 105494802
N-(cyclohexylmethyl)-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 117101139
4-methoxy-N-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 117101052
2-N-cyclopentyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
CID 117101008
4-methoxy-2-pyrrolidin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 115040229
N-(2-fluorophenyl)-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 117101099
4-methoxy-2-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 115025312
2-(cyclopropylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid
CID 114743097
2-(4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)acetic acid
CID 83891041
N-cyclopentyl-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 105491814
4-methyl-N-piperidin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
CID 82192049
4-(azepan-1-yl)-N-piperidin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 66902953

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of N-cyclopropyl-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine (CID 105475959) is N-cyclopropyl-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-cyclopropyl-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for N-cyclopropyl-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine is COc1nc(NC2CC2)nc2c1CNCC2.
What is the InChIKey of N-cyclopropyl-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is BWHWBDCROJMEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-16-10-8-6-12-5-4-9(8)14-11(15-10)13-7-2-3-7/h7,12H,2-6H2,1H3,(H,13,14,15).
What are the key properties of N-cyclopropyl-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine?
N-cyclopropyl-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 220.28 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 105475959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).