N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxypyrimidin-2-amine

C11H17N3O3 — CID 104772335

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NCC2COC(C)(C)O2)n1
InChIInChI=1S/C11H17N3O3/c1-11(2)16-7-8(17-11)6-13-10-12-5-4-9(14-10)15-3/h4-5,8H,6-7H2,1-3H3,(H,12,13,14)
InChIKeyQAXJFVDPIZFPHZ-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.05
Rot. Bonds4

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxypyrimidin-2-amine

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxypyrimidin-2-amine (PubChem CID 104772335) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxypyrimidin-2-amine
PubChem CID104772335
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NCC2COC(C)(C)O2)n1
InChIInChI=1S/C11H17N3O3/c1-11(2)16-7-8(17-11)6-13-10-12-5-4-9(14-10)15-3/h4-5,8H,6-7H2,1-3H3,(H,12,13,14)
InChIKeyQAXJFVDPIZFPHZ-UHFFFAOYSA-N
XLogP1.05
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methoxypyrimidin-2-amine
CID 17459236
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methylpyrimidin-2-amine
CID 104772350
phenyl N-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrimidin-2-yl]carbamate
CID 121356375
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
4-methoxy-N-[(3-methylcyclopentyl)methyl]pyrimidin-2-amine
CID 107413823
6-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridin-2-amine
CID 106196975
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-ethoxypyridin-2-amine
CID 107389367
N-(1,4-dithian-2-ylmethyl)-4-methoxypyrimidin-2-amine
CID 115689528
4-methoxy-N-(thiolan-2-ylmethyl)pyrimidin-2-amine
CID 112698618
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methoxy-2-methylpyridin-4-amine
CID 107389540
4-methoxy-N-(2-methoxy-2-methylpropyl)pyrimidin-2-amine
CID 115658463
4-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,3-thiazol-2-amine
CID 107389713

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxypyrimidin-2-amine?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxypyrimidin-2-amine (CID 104772335) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxypyrimidin-2-amine is COc1ccnc(NCC2COC(C)(C)O2)n1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxypyrimidin-2-amine?
The InChIKey is QAXJFVDPIZFPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-11(2)16-7-8(17-11)6-13-10-12-5-4-9(14-10)15-3/h4-5,8H,6-7H2,1-3H3,(H,12,13,14).
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxypyrimidin-2-amine?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxypyrimidin-2-amine has a molecular weight of 239.27 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 104772335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).