4-chloro-N-(cyclopropylmethyl)-6-(methoxymethyl)pyrimidin-2-amine

C10H14ClN3O — CID 94674680

IUPAC4-chloro-N-(cyclopropylmethyl)-6-(methoxymethyl)pyrimidin-2-amine
SMILESCOCc1cc(Cl)nc(NCC2CC2)n1
InChIInChI=1S/C10H14ClN3O/c1-15-6-8-4-9(11)14-10(13-8)12-5-7-2-3-7/h4,7H,2-3,5-6H2,1H3,(H,12,13,14)
InChIKeyHMFYYTXIIJOOTD-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.10
Rot. Bonds5

About 4-chloro-N-(cyclopropylmethyl)-6-(methoxymethyl)pyrimidin-2-amine

4-chloro-N-(cyclopropylmethyl)-6-(methoxymethyl)pyrimidin-2-amine (PubChem CID 94674680) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 4-chloro-N-(cyclopropylmethyl)-6-(methoxymethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(cyclopropylmethyl)-6-(methoxymethyl)pyrimidin-2-amine
PubChem CID94674680
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name4-chloro-N-(cyclopropylmethyl)-6-(methoxymethyl)pyrimidin-2-amine
SMILESCOCc1cc(Cl)nc(NCC2CC2)n1
InChIInChI=1S/C10H14ClN3O/c1-15-6-8-4-9(11)14-10(13-8)12-5-7-2-3-7/h4,7H,2-3,5-6H2,1H3,(H,12,13,14)
InChIKeyHMFYYTXIIJOOTD-UHFFFAOYSA-N
XLogP2.10
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(cyclopropylmethyl)-6-(methoxymethyl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-N-(cyclopropylmethyl)-6-(methoxymethyl)pyrimidin-2-amine (CID 94674680) is 4-chloro-N-(cyclopropylmethyl)-6-(methoxymethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-(cyclopropylmethyl)-6-(methoxymethyl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-(cyclopropylmethyl)-6-(methoxymethyl)pyrimidin-2-amine is COCc1cc(Cl)nc(NCC2CC2)n1.
What is the InChIKey of 4-chloro-N-(cyclopropylmethyl)-6-(methoxymethyl)pyrimidin-2-amine?
The InChIKey is HMFYYTXIIJOOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-15-6-8-4-9(11)14-10(13-8)12-5-7-2-3-7/h4,7H,2-3,5-6H2,1H3,(H,12,13,14).
What are the key properties of 4-chloro-N-(cyclopropylmethyl)-6-(methoxymethyl)pyrimidin-2-amine?
4-chloro-N-(cyclopropylmethyl)-6-(methoxymethyl)pyrimidin-2-amine has a molecular weight of 227.69 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(cyclopropylmethyl)-6-(methoxymethyl)pyrimidin-2-amine is sourced from PubChem (CID 94674680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).