N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-4-methoxybutan-2-amine

C12H21N3O3 — CID 64602597

IUPACN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-4-methoxybutan-2-amine
SMILESCOCCC(C)NCc1c(OC)ncnc1OC
InChIInChI=1S/C12H21N3O3/c1-9(5-6-16-2)13-7-10-11(17-3)14-8-15-12(10)18-4/h8-9,13H,5-7H2,1-4H3
InChIKeyPHCHVYXVWQPNCZ-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.01
Rot. Bonds8

About N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-4-methoxybutan-2-amine

N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-4-methoxybutan-2-amine (PubChem CID 64602597) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-4-methoxybutan-2-amine.

Molecular Properties

Compound NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-4-methoxybutan-2-amine
PubChem CID64602597
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-4-methoxybutan-2-amine
SMILESCOCCC(C)NCc1c(OC)ncnc1OC
InChIInChI=1S/C12H21N3O3/c1-9(5-6-16-2)13-7-10-11(17-3)14-8-15-12(10)18-4/h8-9,13H,5-7H2,1-4H3
InChIKeyPHCHVYXVWQPNCZ-UHFFFAOYSA-N
XLogP1.01
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[(4-amino-6-methoxypyrimidin-5-yl)methylamino]propan-1-ol
CID 103773604
4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]butan-2-ol
CID 64929900
N-[(2,6-difluorophenyl)methyl]-4-methoxybutan-2-amine
CID 64602570
2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-4-methylpentan-1-ol
CID 61246853
(1S)-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 81369608
(1S)-1-(4-chlorophenyl)-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]ethanamine
CID 81348880
4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-3-methylbutan-1-ol
CID 66092673
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]pent-1-yn-3-amine
CID 114160542
N-[(6-chloro-3-pyridinyl)methyl]-4-methoxybutan-2-amine
CID 115683665
1-(3-chlorophenyl)-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]ethanamine
CID 43552261
1-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-3-[(2S)-4-methoxybutan-2-yl]urea
CID 97019682
N-(4-methoxybutan-2-yl)pyrimidin-2-amine
CID 62732717

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-4-methoxybutan-2-amine?
The IUPAC name of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-4-methoxybutan-2-amine (CID 64602597) is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-4-methoxybutan-2-amine.
What is the SMILES notation for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-4-methoxybutan-2-amine?
The canonical SMILES for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-4-methoxybutan-2-amine is COCCC(C)NCc1c(OC)ncnc1OC.
What is the InChIKey of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-4-methoxybutan-2-amine?
The InChIKey is PHCHVYXVWQPNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-9(5-6-16-2)13-7-10-11(17-3)14-8-15-12(10)18-4/h8-9,13H,5-7H2,1-4H3.
What are the key properties of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-4-methoxybutan-2-amine?
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-4-methoxybutan-2-amine has a molecular weight of 255.32 g/mol, XLogP of 1.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-4-methoxybutan-2-amine is sourced from PubChem (CID 64602597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).