4-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-2-amine

C14H18N4O2 — CID 115586120

IUPAC4-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-2-amine
SMILESCOc1ccnc(NCc2cccnc2OC(C)C)n1
InChIInChI=1S/C14H18N4O2/c1-10(2)20-13-11(5-4-7-15-13)9-17-14-16-8-6-12(18-14)19-3/h4-8,10H,9H2,1-3H3,(H,16,17,18)
InChIKeyKVFCVXDJPOWEML-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.28
Rot. Bonds6

About 4-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-2-amine

4-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-2-amine (PubChem CID 115586120) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-2-amine
PubChem CID115586120
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-2-amine
SMILESCOc1ccnc(NCc2cccnc2OC(C)C)n1
InChIInChI=1S/C14H18N4O2/c1-10(2)20-13-11(5-4-7-15-13)9-17-14-16-8-6-12(18-14)19-3/h4-8,10H,9H2,1-3H3,(H,16,17,18)
InChIKeyKVFCVXDJPOWEML-UHFFFAOYSA-N
XLogP2.28
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]pyrimidin-2-amine
CID 56744605
N-[(6-methoxy-2-pyridinyl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine
CID 63984677
5-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-2-amine
CID 63208632
6-methyl-2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrimidine-4-carbonitrile
CID 107552003
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61373670
4,5-dimethyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine
CID 65169702
1-[2-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide
CID 17499839
3-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]butan-2-amine
CID 115709816
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 61373669
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
3-tert-butyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine
CID 65276825
N-(4-methoxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664484

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-2-amine (CID 115586120) is 4-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-2-amine is COc1ccnc(NCc2cccnc2OC(C)C)n1.
What is the InChIKey of 4-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-2-amine?
The InChIKey is KVFCVXDJPOWEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10(2)20-13-11(5-4-7-15-13)9-17-14-16-8-6-12(18-14)19-3/h4-8,10H,9H2,1-3H3,(H,16,17,18).
What are the key properties of 4-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-2-amine?
4-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-2-amine has a molecular weight of 274.32 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 115586120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).