6-chloro-2-(ethoxymethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine

C14H22ClN3O — CID 114114416

IUPAC6-chloro-2-(ethoxymethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine
SMILESCCOCc1nc(Cl)cc(NCC2(C(C)C)CC2)n1
InChIInChI=1S/C14H22ClN3O/c1-4-19-8-13-17-11(15)7-12(18-13)16-9-14(5-6-14)10(2)3/h7,10H,4-6,8-9H2,1-3H3,(H,16,17,18)
InChIKeyBVTWGGCEEVHEJC-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.51
Rot. Bonds7

About 6-chloro-2-(ethoxymethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine

6-chloro-2-(ethoxymethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine (PubChem CID 114114416) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 6-chloro-2-(ethoxymethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-(ethoxymethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine
PubChem CID114114416
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name6-chloro-2-(ethoxymethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine
SMILESCCOCc1nc(Cl)cc(NCC2(C(C)C)CC2)n1
InChIInChI=1S/C14H22ClN3O/c1-4-19-8-13-17-11(15)7-12(18-13)16-9-14(5-6-14)10(2)3/h7,10H,4-6,8-9H2,1-3H3,(H,16,17,18)
InChIKeyBVTWGGCEEVHEJC-UHFFFAOYSA-N
XLogP3.51
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine
CID 103742855
6-chloro-2-(ethoxymethyl)-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 113450725
6-chloro-2-cyclopropyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine
CID 114114406
6-chloro-2-(ethoxymethyl)-N-(3-ethoxypropyl)pyrimidin-4-amine
CID 113400806
6-chloro-2-(ethoxymethyl)-N-[(E)-pent-3-enyl]pyrimidin-4-amine
CID 106195868
4-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]phenol
CID 106196664
6-chloro-2-(ethoxymethyl)-N-(1-methylcyclohexyl)pyrimidin-4-amine
CID 113400931
N-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-N',N'-diethylethane-1,2-diamine
CID 113400798
N-but-3-yn-2-yl-6-chloro-2-(ethoxymethyl)pyrimidin-4-amine
CID 106196464
6-chloro-2-(ethoxymethyl)-N-(4,4,4-trifluorobutan-2-yl)pyrimidin-4-amine
CID 114131045
4-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149272
6-chloro-N-cycloheptyl-2-(ethoxymethyl)pyrimidin-4-amine
CID 113400811

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(ethoxymethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-(ethoxymethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine (CID 114114416) is 6-chloro-2-(ethoxymethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-(ethoxymethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-(ethoxymethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine is CCOCc1nc(Cl)cc(NCC2(C(C)C)CC2)n1.
What is the InChIKey of 6-chloro-2-(ethoxymethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine?
The InChIKey is BVTWGGCEEVHEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-4-19-8-13-17-11(15)7-12(18-13)16-9-14(5-6-14)10(2)3/h7,10H,4-6,8-9H2,1-3H3,(H,16,17,18).
What are the key properties of 6-chloro-2-(ethoxymethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine?
6-chloro-2-(ethoxymethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine has a molecular weight of 283.80 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(ethoxymethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 114114416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).