6-methoxy-4-N-(3-methylbut-2-enyl)pyrimidine-4,5-diamine

C10H16N4O — CID 106182340

IUPAC6-methoxy-4-N-(3-methylbut-2-enyl)pyrimidine-4,5-diamine
SMILESCOc1ncnc(NCC=C(C)C)c1N
InChIInChI=1S/C10H16N4O/c1-7(2)4-5-12-9-8(11)10(15-3)14-6-13-9/h4,6H,5,11H2,1-3H3,(H,12,13,14)
InChIKeyDOLRFTDBNKFQQO-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.45
Rot. Bonds4

About 6-methoxy-4-N-(3-methylbut-2-enyl)pyrimidine-4,5-diamine

6-methoxy-4-N-(3-methylbut-2-enyl)pyrimidine-4,5-diamine (PubChem CID 106182340) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 6-methoxy-4-N-(3-methylbut-2-enyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-methoxy-4-N-(3-methylbut-2-enyl)pyrimidine-4,5-diamine
PubChem CID106182340
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name6-methoxy-4-N-(3-methylbut-2-enyl)pyrimidine-4,5-diamine
SMILESCOc1ncnc(NCC=C(C)C)c1N
InChIInChI=1S/C10H16N4O/c1-7(2)4-5-12-9-8(11)10(15-3)14-6-13-9/h4,6H,5,11H2,1-3H3,(H,12,13,14)
InChIKeyDOLRFTDBNKFQQO-UHFFFAOYSA-N
XLogP1.45
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-N-(3-methylbut-2-enyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 106182572
4-N-(3-methylbut-2-enyl)-6-propoxypyrimidine-4,5-diamine
CID 106182344
6-methoxy-4-N-(2-methylprop-2-enyl)pyrimidine-4,5-diamine
CID 114615244
5-[(5-amino-6-methoxypyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106141264
1-[(5-amino-6-methoxypyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106141779
6-ethoxy-4-N-ethylpyrimidine-4,5-diamine
CID 19135293
5-amino-4-(3-methylbut-2-enylamino)-1H-pyrimidin-6-one
CID 136679983
2-[(5-amino-6-methoxypyrimidin-4-yl)amino]-3-methoxypropan-1-ol
CID 106184118
6-methoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine
CID 106394063
N-(3-methylbut-2-enyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 103525255
2-N-(3-methylbut-2-enyl)pyridine-2,3-diamine
CID 106182042
6-methoxy-4-N-[(3-methylcyclohexyl)methyl]pyrimidine-4,5-diamine
CID 114129528

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-N-(3-methylbut-2-enyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-methoxy-4-N-(3-methylbut-2-enyl)pyrimidine-4,5-diamine (CID 106182340) is 6-methoxy-4-N-(3-methylbut-2-enyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-methoxy-4-N-(3-methylbut-2-enyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-methoxy-4-N-(3-methylbut-2-enyl)pyrimidine-4,5-diamine is COc1ncnc(NCC=C(C)C)c1N.
What is the InChIKey of 6-methoxy-4-N-(3-methylbut-2-enyl)pyrimidine-4,5-diamine?
The InChIKey is DOLRFTDBNKFQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-7(2)4-5-12-9-8(11)10(15-3)14-6-13-9/h4,6H,5,11H2,1-3H3,(H,12,13,14).
What are the key properties of 6-methoxy-4-N-(3-methylbut-2-enyl)pyrimidine-4,5-diamine?
6-methoxy-4-N-(3-methylbut-2-enyl)pyrimidine-4,5-diamine has a molecular weight of 208.26 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-N-(3-methylbut-2-enyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 106182340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).