N-[(1R,2S)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine

C15H17N3O — CID 141199420

IUPACN-[(1R,2S)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine
SMILESCO[C@H]1CCc2ccccc2[C@H]1Nc1ccncn1
InChIInChI=1S/C15H17N3O/c1-19-13-7-6-11-4-2-3-5-12(11)15(13)18-14-8-9-16-10-17-14/h2-5,8-10,13,15H,6-7H2,1H3,(H,16,17,18)/t13-,15+/m0/s1
InChIKeyPTHPKVRUBHFGOT-DZGCQCFKSA-N
MW255.32 g/mol
LogP2.59
Rot. Bonds3

About N-[(1R,2S)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine

N-[(1R,2S)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine (PubChem CID 141199420) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[(1R,2S)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1R,2S)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine
PubChem CID141199420
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-[(1R,2S)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine
SMILESCO[C@H]1CCc2ccccc2[C@H]1Nc1ccncn1
InChIInChI=1S/C15H17N3O/c1-19-13-7-6-11-4-2-3-5-12(11)15(13)18-14-8-9-16-10-17-14/h2-5,8-10,13,15H,6-7H2,1H3,(H,16,17,18)/t13-,15+/m0/s1
InChIKeyPTHPKVRUBHFGOT-DZGCQCFKSA-N
XLogP2.59
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxycyclopentyl)pyrimidin-4-amine
CID 62086456
N-methyl-2-pyrimidin-4-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64626851
(1R,2S)-2-methoxy-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 118421434
N-[(1R,2S)-2-(methoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 134952452
(1S,2S,4R)-4-[6-[[(1R,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]amino]pyrimidin-4-yl]oxy-2-methylcyclopentan-1-ol
CID 123573143
N-[(1R,2R)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]pyrido[2,3-b]pyrazin-6-amine
CID 97328892
4-(2-fluoropropyl)-N-[(1R,2R)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine-1-carboxamide
CID 167795420
1-methyl-2-pyrimidin-4-yl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 142625962
N-(2-methylcyclopropyl)pyrimidin-4-amine
CID 62398968
[(1S,2S,4R)-2-hydroxy-4-[[6-[[(1R,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]amino]pyrimidin-4-yl]amino]cyclopentyl]methylsulfamic acid
CID 71272473
(1S,2R)-1-(pyrazin-2-ylamino)-2,3-dihydro-1H-inden-2-ol
CID 133447996
N-(2-methoxycyclopentyl)-2,3-dihydro-1H-inden-1-amine
CID 62086936

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine?
The IUPAC name of N-[(1R,2S)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine (CID 141199420) is N-[(1R,2S)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[(1R,2S)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-[(1R,2S)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine is CO[C@H]1CCc2ccccc2[C@H]1Nc1ccncn1.
What is the InChIKey of N-[(1R,2S)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine?
The InChIKey is PTHPKVRUBHFGOT-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H17N3O/c1-19-13-7-6-11-4-2-3-5-12(11)15(13)18-14-8-9-16-10-17-14/h2-5,8-10,13,15H,6-7H2,1H3,(H,16,17,18)/t13-,15+/m0/s1.
What are the key properties of N-[(1R,2S)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine?
N-[(1R,2S)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine has a molecular weight of 255.32 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 141199420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).