N-[(3S)-1-[2-(oxan-4-yloxy)ethyl]pyrrolidin-3-yl]pyrimidin-2-amine

C15H24N4O2 — CID 171359554

IUPACN-[(3S)-1-[2-(oxan-4-yloxy)ethyl]pyrrolidin-3-yl]pyrimidin-2-amine
SMILESc1cnc(N[C@H]2CCN(CCOC3CCOCC3)C2)nc1
InChIInChI=1S/C15H24N4O2/c1-5-16-15(17-6-1)18-13-2-7-19(12-13)8-11-21-14-3-9-20-10-4-14/h1,5-6,13-14H,2-4,7-12H2,(H,16,17,18)/t13-/m0/s1
InChIKeyNHPYTKLMILKHJR-ZDUSSCGKSA-N
MW292.38 g/mol
LogP1.16
Rot. Bonds6

About N-[(3S)-1-[2-(oxan-4-yloxy)ethyl]pyrrolidin-3-yl]pyrimidin-2-amine

N-[(3S)-1-[2-(oxan-4-yloxy)ethyl]pyrrolidin-3-yl]pyrimidin-2-amine (PubChem CID 171359554) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[(3S)-1-[2-(oxan-4-yloxy)ethyl]pyrrolidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3S)-1-[2-(oxan-4-yloxy)ethyl]pyrrolidin-3-yl]pyrimidin-2-amine
PubChem CID171359554
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[(3S)-1-[2-(oxan-4-yloxy)ethyl]pyrrolidin-3-yl]pyrimidin-2-amine
SMILESc1cnc(N[C@H]2CCN(CCOC3CCOCC3)C2)nc1
InChIInChI=1S/C15H24N4O2/c1-5-16-15(17-6-1)18-13-2-7-19(12-13)8-11-21-14-3-9-20-10-4-14/h1,5-6,13-14H,2-4,7-12H2,(H,16,17,18)/t13-/m0/s1
InChIKeyNHPYTKLMILKHJR-ZDUSSCGKSA-N
XLogP1.16
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Cor 3286
CID 86184
N-(oxan-4-yl)pyrimidin-2-amine
CID 43610313
4-[(3R)-3-Aminopyrrolidin-1-yl]-N-(tetrahydro-2H-pyran-4-yl)pyrimidin-2-amine
CID 58227346
1-(1-Methoxypropan-2-yl)-1-methyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 45831205
1-(Oxolan-2-ylmethyl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]urea
CID 51081506
N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine
CID 71981393
N-[3-(oxan-4-yloxy)propyl]pyrimidin-2-amine
CID 71996255
N-{(3R*,4S*)-4-cyclopropyl-1-[2-methyl-2-(4-morpholinyl)propyl]-3-pyrrolidinyl}-2-pyrimidinamine
CID 72846746
2-[3-(2-Piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine
CID 75432350
(4aR,7aS)-6-(cyclopropylmethyl)-4-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97377536
(4aR,7aS)-6-(oxan-4-ylmethyl)-4-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97377537
4-[(4aR,7aS)-6-(2-methoxyethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N,N-dimethylpyrimidin-2-amine
CID 97510758

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[2-(oxan-4-yloxy)ethyl]pyrrolidin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-[(3S)-1-[2-(oxan-4-yloxy)ethyl]pyrrolidin-3-yl]pyrimidin-2-amine (CID 171359554) is N-[(3S)-1-[2-(oxan-4-yloxy)ethyl]pyrrolidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[(3S)-1-[2-(oxan-4-yloxy)ethyl]pyrrolidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-[(3S)-1-[2-(oxan-4-yloxy)ethyl]pyrrolidin-3-yl]pyrimidin-2-amine is c1cnc(N[C@H]2CCN(CCOC3CCOCC3)C2)nc1.
What is the InChIKey of N-[(3S)-1-[2-(oxan-4-yloxy)ethyl]pyrrolidin-3-yl]pyrimidin-2-amine?
The InChIKey is NHPYTKLMILKHJR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-5-16-15(17-6-1)18-13-2-7-19(12-13)8-11-21-14-3-9-20-10-4-14/h1,5-6,13-14H,2-4,7-12H2,(H,16,17,18)/t13-/m0/s1.
What are the key properties of N-[(3S)-1-[2-(oxan-4-yloxy)ethyl]pyrrolidin-3-yl]pyrimidin-2-amine?
N-[(3S)-1-[2-(oxan-4-yloxy)ethyl]pyrrolidin-3-yl]pyrimidin-2-amine has a molecular weight of 292.38 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[2-(oxan-4-yloxy)ethyl]pyrrolidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 171359554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).